data_2l4b_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 2l4b _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 70.2 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.01 -29.47 67.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 72.25 110.928 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.71 -52.29 57.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -72.58 -32.41 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 73.54 111.1 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -51.32 -40.74 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.921 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.61 -31.52 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 64.42 111.094 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.19 -46.33 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.939 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -64.4 -43.06 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.3 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -37.55 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.881 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -68.08 -35.42 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.54 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -74.93 -41.86 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.877 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.17 -51.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.5 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -49.17 -53.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.11 111.099 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.28 76.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 43.03 112.453 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -49.98 72.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 70.23 110.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.63 5.19 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.925 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 50.15 88.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.54 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.97 153.14 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.922 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -101.06 175.98 5.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.15 -41.54 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.82 -54.07 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.21 -40.96 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.878 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -70.71 -22.54 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.935 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -89.44 -21.95 22.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -109.54 22.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.8 155.01 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 73.14 110.938 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.12 158.74 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.11 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.12 -30.55 77.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 55.3 112.454 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 p -99.59 39.0 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.916 0.388 . . . . 73.14 111.165 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -126.39 107.82 10.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 60.34 111.18 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -53.67 104.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.902 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.86 -12.2 60.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.932 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -46.02 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.52 111.142 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -85.14 -51.48 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.893 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.62 -63.22 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.55 -3.79 45.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.893 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.1 47.74 24.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.905 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.9 mt -58.64 150.3 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.937 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -84.64 154.67 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.849 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.6 p -55.22 -25.99 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.884 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -48.53 36.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.23 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -48.83 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.881 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.75 -45.42 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.855 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.58 -52.22 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.11 111.151 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mt -66.76 -58.55 4.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 73.32 110.881 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.0 pt -58.78 -38.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.21 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.49 -39.79 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.882 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -62.62 -53.49 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.09 -37.44 87.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.906 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.62 -52.0 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.841 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.6 -29.47 64.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.868 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -60.78 -57.89 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.18 10.81 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.51 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m 51.51 30.41 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.857 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 tp -76.26 155.54 34.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.36 94.67 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.3 110.88 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -99.87 143.61 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.123 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 m -112.32 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.855 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -75.67 -41.78 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.02 -32.49 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.83 -47.28 80.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -23.18 63.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.14 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.61 -24.03 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 70.11 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.57 12.84 21.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.8 mt -121.93 97.98 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -126.08 -37.62 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 73.52 110.9 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -86.86 158.37 19.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 72.44 111.141 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.3 -53.97 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.881 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.12 -50.54 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.2 -55.75 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.13 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.72 -38.72 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.907 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.67 -46.73 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.835 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.889 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 62.3 mt -73.61 -35.73 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.45 111.138 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.16 -46.12 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.32 111.111 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -54.37 -27.05 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 73.1 110.849 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.886 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.814 0.34 . . . . 70.2 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.29 -33.93 55.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.54 -51.23 69.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.78 -32.4 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.105 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -40.44 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.914 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.46 69.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.138 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -75.28 -46.52 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 m -64.35 -42.93 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 71.3 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -37.59 74.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.829 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.31 -34.96 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -41.75 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.41 -51.57 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.5 111.138 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt -49.13 -52.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -23.22 76.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 43.03 112.452 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -50.16 71.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 70.23 110.897 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.37 4.62 31.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt 51.06 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.911 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.19 166.99 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.925 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -111.87 -170.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.57 -40.09 88.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.846 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.67 -47.84 68.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.888 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -59.9 -38.34 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.885 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.7 -22.78 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.91 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -88.86 -27.72 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -101.85 22.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.057 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 153.2 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.875 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -155.14 159.18 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 54.11 110.833 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.59 -27.25 73.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 55.3 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -102.92 38.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 73.14 111.126 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m -125.46 107.64 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 60.34 111.154 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -54.15 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 71.14 110.969 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.28 -13.96 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.3 110.964 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.88 -49.05 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.111 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -84.63 -48.69 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.19 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.14 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -78.92 -3.19 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.939 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m120 54.62 38.32 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -51.46 147.41 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.95 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.97 156.24 21.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.24 110.941 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 p -55.01 -26.31 36.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.22 110.848 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.06 -48.8 32.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 75.23 110.936 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -50.19 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.847 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.89 -46.33 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.08 -54.64 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 75.11 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.97 -29.06 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.61 -58.14 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.32 110.992 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.5 pt -59.88 -36.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.136 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.7 mtp -69.07 -41.61 77.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.815 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -62.27 -50.49 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.12 110.85 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.11 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.854 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.97 -51.97 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -71.7 -31.23 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.42 110.88 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -59.21 -56.32 23.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 74.53 110.837 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -96.68 10.34 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.888 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p 51.66 29.54 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.898 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.5 tp -75.39 155.22 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -103.86 94.58 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.3 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.86 138.7 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.114 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -108.98 -171.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.1 110.842 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.94 -37.59 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.85 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -74.87 -39.84 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -52.75 -49.79 64.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.9 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -20.61 57.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 70.11 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.92 -21.8 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.1 mt -80.93 92.64 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.36 -30.1 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.905 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -102.84 151.25 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.094 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 t -53.49 -51.0 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.126 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -52.64 -42.73 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -65.87 -46.85 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.74 -55.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.07 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.5 t -58.25 -40.36 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -63.32 -39.97 96.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.846 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.18 -38.31 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.968 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.53 -40.19 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 75.45 111.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.32 72.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.114 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -54.43 -27.11 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.902 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.895 0.379 . . . . 70.2 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -52.41 -29.67 25.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.45 -52.74 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.66 -33.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.141 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -51.57 -40.89 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.846 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.3 69.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 64.42 111.1 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.13 -46.78 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 75.2 110.891 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -63.92 -43.56 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 71.3 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.57 76.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.864 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.77 -35.66 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 72.54 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -74.76 -40.43 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.896 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.63 -52.76 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 75.5 111.101 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.6 mt -48.32 -52.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.154 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.14 -23.27 76.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 43.03 112.489 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -50.88 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 70.23 110.852 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.46 5.63 31.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 50.88 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.28 160.97 14.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.9 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.436 HD22 ' NE2' ' A' ' 27' ' ' GLN . 2.4 p-10 -107.09 -178.16 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.865 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.02 -42.17 84.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.846 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.13 -54.09 39.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' NE2' HD22 ' A' ' 24' ' ' ASN . 2.1 mp0 -56.73 -37.73 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -74.59 -23.79 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.968 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.32 -21.4 24.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.902 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -108.4 22.6 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.095 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 158.92 15.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.948 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.1 159.93 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 54.11 110.862 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.46 70.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 55.3 112.49 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 p -108.19 39.23 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 73.14 111.204 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 110.29 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 60.34 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.31 105.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -13.41 61.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.913 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.85 -45.1 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.04 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -52.86 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -50.5 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.14 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -78.73 -2.83 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.9 40.02 27.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.7 mt -51.34 156.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.905 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -98.14 157.66 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.943 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.9 p -55.66 -25.15 37.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.831 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.92 -36.5 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -47.06 26.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.906 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -51.85 -46.57 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.22 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.75 -54.86 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 75.11 111.116 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.7 -32.2 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.49 -58.09 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.946 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.04 -37.09 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.17 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.04 -42.36 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.9 p -62.52 -51.47 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 73.12 110.89 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.64 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 75.25 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.19 -51.99 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.932 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.68 -27.74 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 70.42 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -62.51 -57.0 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.926 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -95.43 11.07 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.835 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t 51.64 29.37 5.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 74.45 110.867 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.6 tp -75.18 155.02 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 74.25 110.951 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.33 94.37 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.2 mt -98.3 141.34 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 m -110.82 -171.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 73.1 110.852 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -77.87 -45.59 23.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.843 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.62 -30.91 61.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.77 -46.69 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 71.01 110.886 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -23.03 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.14 111.083 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.83 -20.2 55.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 70.11 110.944 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -111.46 10.25 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.9 mt -122.24 95.3 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -123.61 -41.96 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -84.2 163.48 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.44 111.08 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.89 -55.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.34 111.134 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -54.39 -45.27 72.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.833 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.98 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.905 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.67 -55.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.13 111.158 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.45 -37.04 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.895 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -64.99 -49.11 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.883 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -60.41 -38.44 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.948 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.56 -35.95 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.45 111.106 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.51 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.069 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -54.44 -26.79 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.906 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.929 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.768 0.318 . . . . 70.2 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -58.67 -30.95 67.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.82 -52.6 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.54 -32.31 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.54 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.05 -40.6 58.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.886 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.82 -31.56 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.42 111.146 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.1 -46.28 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 m -64.69 -43.2 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.3 111.108 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -37.47 75.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.845 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -68.36 -35.68 78.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.54 110.926 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -74.87 -40.89 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.3 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.71 -53.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 75.5 111.123 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -48.19 -52.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.11 111.161 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.31 -23.16 76.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 43.03 112.485 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -51.15 67.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 70.23 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 5.23 32.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 75.53 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 50.12 89.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.913 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.43 149.47 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.922 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -95.94 -179.66 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -49.36 70.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.899 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.22 -54.53 44.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.46 -46.95 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.929 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -67.58 -22.63 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.882 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.99 -19.39 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -113.98 21.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.167 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.73 154.93 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.878 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -158.03 159.38 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 54.11 110.824 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.68 -30.67 76.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 55.3 112.503 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -100.08 38.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 73.14 111.157 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.02 107.55 10.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 60.34 111.151 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -53.66 103.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.844 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.8 -12.25 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 73.3 110.948 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.22 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.52 111.083 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -85.1 -52.38 5.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -50.12 -63.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 65.14 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.67 -2.98 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.844 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.57 47.5 24.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 75.43 110.893 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.8 143.99 45.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 74.24 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.66 155.26 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.24 110.839 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -55.14 -26.04 35.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -72.73 -40.88 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.929 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -48.14 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.844 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.92 -49.09 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.892 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.95 -51.46 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -30.92 71.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 74.41 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.55 -58.24 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.967 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.66 -38.55 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.21 111.179 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.57 -41.33 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.892 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 t -60.1 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.786 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.68 -37.82 87.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -56.29 -52.21 65.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 75.15 110.86 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -71.82 -31.99 67.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.42 110.907 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -57.14 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.44 11.52 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.928 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t 51.58 29.46 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 74.45 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.29 155.76 36.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.73 94.63 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.3 110.835 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 mt -103.07 137.48 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.186 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -112.42 159.25 18.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -51.86 -32.7 33.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -44.77 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.867 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -55.59 -39.98 71.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 71.01 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -23.19 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.39 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 70.11 110.898 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -110.72 3.71 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -112.94 112.27 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.868 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -137.43 -42.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 p -87.77 159.49 18.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.12 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.36 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.12 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -52.64 -49.25 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -56.54 -50.44 71.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.57 -55.78 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.115 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.2 t -55.66 -37.99 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.12 -45.95 86.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.59 -39.66 94.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.926 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 81.5 mt -73.94 -35.77 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.45 111.147 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.77 81.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t -54.37 -26.79 32.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 73.1 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.912 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.813 0.339 . . . . 70.2 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -54.36 -30.25 51.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.822 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.42 -52.74 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.924 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -72.57 -32.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 73.54 111.105 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -51.66 -40.48 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.935 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.41 69.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 64.42 111.145 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.29 -46.17 35.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.815 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.1 m -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 71.3 111.204 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -37.78 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.891 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.26 -34.97 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 p -74.83 -40.77 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.802 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.8 -53.0 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.5 111.14 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.6 -52.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.11 111.118 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.38 -23.07 76.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.756 . . . . 43.03 112.536 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -50.25 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 70.23 110.923 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 4.85 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.887 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 51.8 91.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -96.58 165.67 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 75.11 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.43 172.78 6.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.876 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -55.03 -25.95 33.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.934 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.8 -43.65 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.29 -25.27 62.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -75.63 -44.89 40.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.821 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.95 -23.23 66.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -105.87 19.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.13 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 148.35 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 73.14 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -155.98 159.33 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 54.11 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.96 92.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 55.3 112.433 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -93.95 39.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 73.14 111.103 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -124.88 105.34 9.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 60.34 111.119 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -53.58 105.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.919 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.97 -13.02 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.904 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.66 -47.36 12.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.52 111.113 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -84.9 -50.84 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.65 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 65.14 110.884 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -78.75 -2.87 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 73.13 110.909 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 53.51 39.86 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 75.43 110.818 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -52.5 155.07 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 74.24 110.901 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 157.94 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.88 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -55.23 -26.17 37.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.824 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.93 -48.65 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 75.23 110.948 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -49.11 78.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.826 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -51.79 -48.34 63.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.2 t -54.58 -52.04 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.105 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.47 -30.14 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.898 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.51 -58.18 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.32 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -38.29 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.66 -41.0 79.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.85 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.23 -53.28 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.918 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.35 -37.92 88.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.865 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -57.18 -52.13 66.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.843 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.54 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 70.42 110.852 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.83 -57.6 12.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -95.39 11.12 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.851 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.54 29.85 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.842 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.2 155.83 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.25 110.887 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -104.87 94.61 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 65.3 110.849 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.03 137.97 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.219 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -111.98 171.95 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.1 110.837 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.05 -39.9 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.13 110.909 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.95 -33.96 62.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.921 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.12 -48.11 76.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.01 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.02 64.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.44 -24.11 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.11 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -111.52 13.46 21.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.9 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.88 99.16 6.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 72.14 110.985 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -123.44 -37.73 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -93.08 153.31 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.44 111.144 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.0 t -52.61 -52.13 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.087 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -52.92 -40.85 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 73.31 110.858 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -48.96 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.39 -55.02 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 74.13 111.185 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.4 t -55.63 -43.31 76.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.846 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -61.48 -45.92 92.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.854 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -62.1 -38.26 88.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.889 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.67 -35.82 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 75.45 111.119 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.71 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.111 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -54.45 -26.62 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.83 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.897 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.855 0.359 . . . . 70.2 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -30.15 63.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 72.25 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.16 -51.93 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.4 -32.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.54 111.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -39.62 63.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.899 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.79 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.42 111.137 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.51 -45.92 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.84 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 m -64.33 -42.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.3 111.098 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -37.62 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.923 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -67.97 -35.43 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.903 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -75.1 -40.74 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.3 110.882 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.29 -51.39 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 75.5 111.105 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.5 mt -49.38 -52.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.11 111.127 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.49 -23.03 76.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 43.03 112.536 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -50.5 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 70.23 110.832 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.35 3.79 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.938 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mttm 52.91 92.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.897 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.67 168.29 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.898 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.43 HD22 ' NE2' ' A' ' 27' ' ' GLN . 2.6 p30 -117.6 -179.35 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.38 -31.84 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.12 -55.5 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.873 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' HD22 ' A' ' 24' ' ' ASN . 0.8 OUTLIER -58.5 -35.06 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.956 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -73.19 -22.75 60.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.23 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -88.98 -28.27 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.945 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -100.95 22.56 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 73.44 111.144 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 153.86 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.926 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.52 146.13 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 54.11 110.861 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.22 -30.41 61.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 55.3 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -98.14 38.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 73.14 111.163 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -127.85 108.93 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 60.34 111.157 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.12 104.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 71.14 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.1 mt -66.13 -13.49 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.895 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 -49.35 12.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.138 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -85.32 -49.91 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.56 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.14 110.897 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.6 -2.76 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.844 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.95 42.97 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.852 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.96 151.32 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.973 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.06 154.37 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -53.52 -27.1 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.843 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.8 -48.68 36.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -49.26 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.909 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.06 -45.07 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.865 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.54 -55.75 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -59.77 -30.61 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -57.98 6.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.1 pt -62.62 -37.09 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.094 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtp -68.0 -41.75 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.863 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -63.42 -52.02 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.12 110.89 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.28 -41.93 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.25 110.973 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -52.22 66.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.842 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.15 -22.69 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.42 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -67.51 -55.58 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -92.99 16.21 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.888 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 52.07 26.58 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.45 110.878 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.99 165.82 24.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.867 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 93.93 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 65.3 110.874 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.87 138.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 75.03 111.17 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.02 -172.8 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.84 -39.35 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.867 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.34 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.13 -36.17 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.01 110.929 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -23.14 62.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.062 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.61 -18.36 59.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.954 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -111.64 12.01 21.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -122.56 111.12 16.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.87 -46.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.92 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 p -91.8 159.6 15.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.44 111.17 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.21 -53.24 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 74.34 111.09 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.77 -47.25 67.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.876 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -58.91 -48.18 82.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.52 110.838 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.4 mt -59.24 -55.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 74.13 111.181 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.2 t -54.89 -37.46 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.861 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -46.69 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.904 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -61.81 -39.34 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.6 mt -74.75 -36.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.45 111.129 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.94 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.134 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -54.44 -26.53 31.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.828 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.917 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.793 0.33 . . . . 70.2 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.61 -35.4 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.25 110.918 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -60.83 -51.27 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 73.41 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.8 -32.48 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.54 111.075 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -40.26 60.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.922 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.72 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.141 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.44 -45.35 39.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.864 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -66.03 -41.98 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 71.3 111.125 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -37.45 72.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.901 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.875 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 p -74.96 -42.34 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.908 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.51 -53.24 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 75.5 111.064 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -48.34 -52.4 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.144 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.21 76.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 43.03 112.482 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -50.9 67.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 70.23 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.59 6.44 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 75.53 110.881 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt 50.05 89.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.54 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.86 154.87 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.919 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -96.84 -169.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.935 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.17 -50.51 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 72.21 110.809 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -61.3 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.913 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -57.71 -40.37 79.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 74.33 110.917 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -72.75 -22.57 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.91 -24.9 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.44 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.84 23.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.04 149.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.927 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.21 159.75 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.11 110.82 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.66 -16.8 61.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 55.3 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.5 p -111.46 38.96 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 73.14 111.107 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -129.44 114.42 16.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 60.34 111.109 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -59.82 106.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -67.41 -15.1 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.02 -44.25 12.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.085 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.884 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.75 -61.96 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 65.14 110.857 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -79.05 -2.79 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.888 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.9 t30 51.83 44.09 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 75.43 110.859 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.99 153.66 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.968 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 156.39 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.882 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.8 t -54.52 -26.36 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.84 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.86 -44.35 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -49.41 71.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.1 -50.19 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 74.22 110.819 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.9 t -52.47 -51.94 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.11 111.113 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.54 -31.17 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.08 -58.23 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.915 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.45 -38.42 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.21 111.179 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.06 -40.08 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.84 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -61.56 -53.42 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.904 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.07 -38.0 87.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.905 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.07 -51.88 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.59 -32.26 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 70.42 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -57.71 -55.65 32.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -97.64 10.48 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.51 110.861 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.57 30.11 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.45 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 tp -75.76 155.52 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 74.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -102.55 94.66 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.3 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -102.41 142.67 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 75.03 111.119 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -112.05 -170.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.38 -44.12 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.848 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.88 -27.06 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.07 -43.09 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.83 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.05 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.98 45.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 70.11 110.905 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 13.74 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.908 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 mt -127.85 88.76 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.837 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -118.31 -30.38 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.839 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -99.22 160.95 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.166 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.86 -45.69 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.127 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -60.21 -48.71 80.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.87 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.8 mt -60.64 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.159 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.8 t -56.39 -40.47 74.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -62.66 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.43 -38.75 90.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.892 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.1 mt -73.88 -35.95 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.45 111.107 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.74 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.32 111.096 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -54.38 -27.17 34.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.888 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.939 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.799 0.333 . . . . 70.2 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.49 -33.76 74.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.11 -49.98 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.79 -32.32 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.54 111.168 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -51.77 -40.71 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.913 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.52 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 64.42 111.093 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.43 -45.89 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.2 110.913 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -65.04 -42.78 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 71.3 111.16 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -37.45 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.21 110.902 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.47 -35.18 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.54 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -74.9 -41.89 58.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.29 -51.32 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.2 mt -49.35 -53.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 75.11 111.076 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.19 76.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 43.03 112.536 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -50.21 71.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 70.23 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 4.71 30.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.886 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mttt 51.25 90.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.921 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.52 157.64 15.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.892 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -100.71 -175.41 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.21 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.868 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.21 -53.95 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -53.36 -41.03 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.917 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -72.73 -24.11 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -87.36 -15.75 36.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.943 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -115.05 22.6 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.67 155.32 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.953 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.1 159.14 37.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 54.11 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.11 86.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 55.3 112.51 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -98.19 39.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 73.14 111.169 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.2 m -126.3 108.42 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 60.34 111.162 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -55.85 105.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.69 -12.44 60.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.52 -45.19 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.085 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -85.32 -51.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.53 110.935 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -51.22 -63.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.816 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.39 -3.4 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 73.13 110.859 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 51.6 62.81 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -72.97 155.42 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.952 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.07 154.92 18.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.942 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.5 m -53.13 -28.35 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.836 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 mt -72.78 -48.77 35.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.91 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.33 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.896 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.65 -47.66 63.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.11 -52.52 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.099 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.3 -31.77 72.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.887 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.41 -58.25 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -58.82 -38.7 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.165 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.6 -41.88 78.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.952 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -60.0 -53.53 56.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.866 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.2 -38.51 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.916 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.75 -52.22 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.15 110.873 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.94 -31.18 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 70.42 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -57.67 -54.71 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.861 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.11 11.47 39.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.425 . . . . 75.51 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.65 29.61 5.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.902 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.9 tp -75.6 155.72 35.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.855 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -104.81 94.59 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 65.3 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mt -101.62 141.26 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -112.44 -170.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.814 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.55 -42.51 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.13 110.896 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.54 -31.92 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -57.84 -46.55 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.26 -22.11 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -24.84 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 70.11 110.889 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 10.83 20.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -118.97 96.34 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.12 -37.91 2.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.862 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.5 p -90.54 159.01 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.8 -50.23 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 74.34 111.07 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.32 -45.52 80.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.835 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.66 -50.49 70.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.811 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mt -59.73 -55.73 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.202 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -57.65 -34.22 69.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.928 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -67.71 -42.28 82.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.861 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.89 -38.29 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.93 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.73 -44.03 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.45 111.223 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.51 89.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.168 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -26.73 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.844 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.94 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.777 0.322 . . . . 70.2 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -52.09 -29.96 23.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.3 -52.59 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.905 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -72.71 -33.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -52.4 -40.01 61.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.38 68.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 64.42 111.043 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.69 -44.72 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.2 110.923 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.32 -41.71 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.3 111.191 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -38.43 68.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.894 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.03 -36.19 81.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.855 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -74.02 -49.28 25.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.846 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.3 t -56.46 -51.01 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.5 111.069 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -47.88 -50.22 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.11 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.38 73.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.711 . . . . 43.03 112.487 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -49.82 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 70.23 110.891 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.57 3.1 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 89.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.87 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.65 166.69 13.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -112.37 -171.63 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -34.3 77.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.833 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.12 -49.44 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.825 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.42 -43.71 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.02 -24.38 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.39 -29.12 23.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.969 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -101.31 20.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.194 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 154.67 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.869 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -158.6 158.17 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.11 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.58 -31.01 78.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 55.3 112.511 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 p -99.6 38.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 73.14 111.118 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -125.42 106.5 9.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 60.34 111.165 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -53.8 104.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.14 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.12 -12.86 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 73.3 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.25 -47.61 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.109 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -50.79 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -64.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 65.14 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -78.82 -2.49 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 t30 52.37 43.27 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -54.9 146.63 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.17 155.85 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.879 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 p -54.9 -26.84 38.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.906 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 mt -72.88 -48.79 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -48.85 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -53.43 -41.91 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.861 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.06 -54.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.16 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.891 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.07 -58.59 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -61.18 -38.87 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.122 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 mtp -68.13 -40.9 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.901 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -61.63 -52.66 63.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 73.12 110.84 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.67 -37.06 83.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -57.89 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.44 -32.66 68.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -58.03 -59.79 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.53 110.85 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.32 10.34 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.887 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.76 29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.905 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.04 156.42 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 74.25 110.917 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.78 94.61 5.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.54 142.32 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.03 111.156 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -111.09 -171.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.871 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.87 -37.07 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.869 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -74.91 -40.41 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -53.35 -48.5 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 71.01 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.79 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 75.14 111.096 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -21.31 54.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.11 110.904 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -18.04 13.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.45 94.03 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 72.14 110.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.8 -33.08 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 p -96.39 153.94 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.44 111.116 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.47 -51.95 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 74.34 111.08 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -52.75 -49.78 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.31 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.73 -49.5 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.3 mt -59.43 -55.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.106 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.23 -43.46 78.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.879 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.96 -42.86 95.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.863 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.94 -40.8 95.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.967 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.49 -35.82 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 75.45 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.6 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 74.32 111.097 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -54.28 -26.78 31.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 71.21 110.895 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 70.2 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.17 -34.05 73.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.42 -51.32 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.863 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.66 -32.13 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -51.21 -40.57 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 74.03 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.79 69.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.107 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -75.3 -45.55 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 m -65.79 -42.21 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -37.2 73.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 75.21 110.877 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.56 -35.15 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.54 110.868 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -75.0 -42.15 58.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.82 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -51.62 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.075 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -49.45 -52.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.11 111.152 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.19 75.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.722 . . . . 43.03 112.455 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -50.58 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 70.23 110.905 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.42 5.04 31.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.933 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.01 91.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.957 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.33 169.4 9.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.11 110.905 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -115.97 -175.09 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.924 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.05 -35.74 81.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.848 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.63 -48.0 43.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.908 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -58.74 -34.32 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -74.8 -22.54 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.09 -30.39 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pp -93.66 18.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.162 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.86 155.69 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.874 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.08 159.68 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.11 110.839 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.36 -19.06 63.91 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 55.3 112.546 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.3 p -113.73 38.98 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 73.14 111.124 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -123.49 110.7 15.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 60.34 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -55.35 104.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.98 -14.63 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.3 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.21 -44.25 14.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.099 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -84.59 -51.7 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.53 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.28 -63.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.86 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -78.77 -3.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.951 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t30 52.7 46.52 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 75.43 110.868 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 154.17 20.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.89 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -53.42 -27.76 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.838 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.21 -49.09 29.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.955 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -50.15 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.875 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.54 -49.1 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.9 t -53.15 -51.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 75.11 111.13 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -31.3 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.848 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.63 -58.4 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.956 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 pt -58.25 -38.31 67.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 73.21 111.167 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -69.44 -39.66 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.86 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 t -61.34 -53.7 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.12 110.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.21 -38.84 88.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.858 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.17 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 75.15 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.84 -31.84 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.42 110.848 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -57.17 -55.24 37.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.87 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -99.36 11.28 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.817 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t 51.58 29.59 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.45 110.86 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.3 tp -75.41 155.63 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -103.78 94.56 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 65.3 110.897 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.95 139.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.03 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -112.49 -171.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.1 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.67 -35.2 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.859 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.0 -41.62 59.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -55.72 -53.05 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 71.01 110.853 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.16 -22.63 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.099 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -20.43 50.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 70.11 110.869 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -17.61 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.892 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.14 92.11 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -122.65 -4.89 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.52 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.2 154.81 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.147 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.77 -54.33 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.34 111.151 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.75 -46.31 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.879 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.64 -50.45 72.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.879 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.0 mt -58.43 -55.82 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.088 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.8 t -58.07 -42.84 86.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.472 . . . . 72.24 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -59.78 -39.4 84.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -69.05 -41.35 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.955 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.52 -36.91 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 75.45 111.134 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.06 69.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 74.32 111.074 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.3 t -54.65 -26.71 34.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 73.1 110.796 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.902 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.886 0.374 . . . . 70.2 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.49 -33.7 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.25 110.798 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.04 -51.42 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.846 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 mt -72.75 -32.19 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 73.54 111.097 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -51.76 -40.17 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.69 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.42 111.056 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.43 -45.06 41.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.2 110.869 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.15 -42.08 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -37.39 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.89 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.874 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 t -74.92 -41.94 58.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.958 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.87 -52.75 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 75.5 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.2 mt -48.83 -51.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.11 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.2 75.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 43.03 112.555 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -50.63 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 70.23 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 5.82 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.911 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 52.79 92.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.54 110.881 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.46 175.0 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 75.11 110.899 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -118.47 -176.34 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.887 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.78 -33.36 75.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.838 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.29 -49.73 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.896 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -54.11 -27.78 35.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.917 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -74.76 -32.02 61.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 75.23 110.866 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.64 -51.0 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.879 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.86 -27.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.152 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.19 158.97 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.865 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.24 159.54 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 54.11 110.879 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.76 -13.71 59.51 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 55.3 112.519 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.9 p -121.07 38.73 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.14 111.151 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -125.36 108.8 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 60.34 111.096 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.48 105.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -68.1 -14.91 63.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.915 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 -44.42 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 74.52 111.074 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -84.32 -50.64 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.968 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.59 -62.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.847 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -78.75 -7.54 57.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.842 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.03 37.16 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 75.43 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.1 mt -51.44 151.0 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.913 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 156.61 16.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.916 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 m -53.46 -27.32 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.906 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 mt -73.0 -48.82 33.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -50.3 73.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.875 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.05 -49.95 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.893 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.6 t -52.28 -52.15 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 75.11 111.129 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.943 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.99 -58.21 4.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 pt -58.53 -38.18 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.21 111.113 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -69.21 -38.54 78.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.86 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -63.18 -53.28 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.877 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.44 -37.37 85.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.47 -51.91 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.15 110.911 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.81 -31.31 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.01 -56.55 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.811 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.53 10.5 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 t 51.65 29.55 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.894 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.11 156.01 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.39 94.6 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.3 110.943 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.83 138.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.45 159.09 19.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.1 110.806 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.06 -36.61 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.04 -38.02 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.91 -37.5 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.85 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.25 -23.14 62.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.14 111.031 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -60.24 -19.79 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.11 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -111.05 10.87 22.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 mt -122.87 94.64 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.849 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.1 -36.83 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.863 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 p -92.14 164.24 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.44 111.165 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -61.79 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 111.155 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.76 -43.47 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.86 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -50.56 73.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.52 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.2 mt -62.07 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.093 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.19 -42.02 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.898 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -60.47 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -57.68 -41.79 82.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.88 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.67 -35.8 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 75.45 111.101 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -27.49 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.789 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.883 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.82 0.343 . . . . 70.2 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -51.81 -39.15 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.25 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.04 -51.12 68.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -72.61 -32.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.113 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -39.85 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.897 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.11 -31.66 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 64.42 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.64 -44.98 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.969 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.57 -41.5 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 71.3 111.125 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -37.81 68.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.868 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -67.83 -35.76 79.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 72.54 110.913 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -74.84 -48.14 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.825 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.2 t -57.43 -52.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.5 111.156 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.0 mt -47.93 -48.99 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.11 111.142 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.7 -23.13 73.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 43.03 112.551 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 t -65.42 -49.34 69.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 70.23 110.885 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.34 2.3 31.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.937 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 51.87 91.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.891 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.19 156.13 16.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 75.11 110.93 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -98.62 -169.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -47.24 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.867 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.69 -45.03 94.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.4 -38.65 74.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.886 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -72.41 -23.46 61.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -88.08 -26.61 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -102.42 23.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 73.44 111.104 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.75 153.2 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.898 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -157.0 154.77 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 54.11 110.877 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.705 -0.759 . . . . 55.3 112.518 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -97.71 38.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 73.14 111.091 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -124.75 106.58 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 60.34 111.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -53.72 105.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.844 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.55 -13.41 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.964 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.8 -49.11 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.082 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -84.96 -50.48 7.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 74.53 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.28 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 65.14 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -78.84 -2.47 39.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.907 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 53.77 38.91 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.926 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.95 146.7 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.97 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.78 155.41 21.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.904 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -26.54 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.889 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 mt -73.1 -49.08 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 75.23 110.927 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.33 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.86 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.34 -42.44 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.3 t -57.7 -54.13 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 75.11 111.151 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.38 -28.38 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.879 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -66.06 -58.57 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 pt -61.7 -38.38 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.096 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -68.28 -41.6 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.859 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -61.22 -53.68 53.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.843 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.23 -36.91 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 75.25 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.1 -51.57 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.47 -31.28 66.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 70.42 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.36 -58.01 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -94.91 10.21 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.51 110.863 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 t 51.68 29.68 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -75.83 155.97 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.868 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.63 94.56 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 65.3 110.943 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -101.76 138.77 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.03 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -178.55 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.96 -48.39 63.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 74.13 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.91 -39.76 94.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.902 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.92 -50.37 70.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.01 110.866 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.1 -22.74 64.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.14 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.03 -21.97 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.11 110.912 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 -18.56 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.62 89.65 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.978 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.15 -36.02 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.79 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 p -94.64 150.96 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.225 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -54.7 -50.84 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 74.34 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -52.62 -47.01 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 73.31 110.888 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.73 -48.9 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.4 mt -58.23 -55.71 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.117 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.2 t -56.41 -42.0 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -41.71 97.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.829 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.924 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.8 mt -72.41 -36.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.45 111.105 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.1 -45.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.039 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 t -54.48 -27.16 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.1 110.816 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.876 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.901 0.381 . . . . 70.2 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -51.96 -30.09 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.41 -52.37 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.82 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.59 -32.6 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.54 111.151 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -40.75 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.03 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.33 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 64.42 111.073 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -75.22 -46.67 32.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 75.2 110.899 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.5 m -63.83 -43.48 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 71.3 111.121 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -37.71 76.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.849 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.68 -35.51 78.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.923 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -74.78 -40.84 60.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.828 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.47 -52.73 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.5 111.13 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.9 mt -48.47 -52.71 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.146 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.16 -23.2 76.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 43.03 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -50.71 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.388 . . . . 70.23 110.887 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 5.32 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.886 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 51.61 90.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.54 110.92 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.87 162.04 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 75.11 110.913 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -113.97 -179.01 3.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.918 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.04 -49.45 66.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 72.21 110.871 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.37 -55.02 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.864 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -57.44 -43.76 84.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.883 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -67.62 -23.76 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.78 -29.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.953 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -101.26 22.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.73 153.57 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.864 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -158.04 158.71 35.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 54.11 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.51 -34.59 90.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 55.3 112.525 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -96.65 39.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 73.14 111.126 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.36 107.95 11.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 60.34 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -54.2 105.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.36 -12.63 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.907 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.68 -46.27 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.095 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -51.53 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.9 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -50.65 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 65.14 110.901 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -78.76 -2.88 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 73.13 110.9 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 51.92 46.43 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 75.43 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -58.23 155.0 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.946 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 156.91 16.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.864 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -54.62 -26.69 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.852 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.84 -48.73 35.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.922 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -49.3 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.846 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -51.9 -48.34 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.22 -52.21 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.074 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.67 -30.34 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.914 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mt -68.26 -58.08 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.984 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.14 -38.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.75 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.855 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -61.46 -53.37 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.864 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.17 -38.29 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -57.3 -51.89 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.849 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.62 -30.44 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.912 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.47 -58.54 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 74.53 110.836 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -94.66 10.83 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 51.82 29.69 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.822 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.2 tp -75.73 155.44 35.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.948 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -103.96 94.67 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.3 110.87 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.29 142.59 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.068 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.38 -172.39 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 73.1 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -78.56 -41.81 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.13 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.98 -31.1 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.86 -45.64 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.01 110.926 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.29 -23.14 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.14 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -19.39 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 70.11 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -111.33 9.82 21.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -122.35 90.84 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 72.14 110.899 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -117.6 -30.72 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.52 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 72.44 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.6 t -58.66 -54.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 74.34 111.167 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.84 -48.92 66.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.841 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.89 -50.36 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -59.64 -55.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 74.13 111.113 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.85 -40.4 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.24 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.41 -46.28 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.929 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -62.36 -39.29 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.971 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.8 mt -73.2 -35.96 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.45 111.125 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -46.78 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.115 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -54.54 -27.04 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.1 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.885 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.81 0.338 . . . . 70.2 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -52.35 -32.31 37.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 72.25 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.78 -50.94 71.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.7 -32.15 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.54 111.138 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -51.23 -40.64 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.871 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 64.42 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.19 -46.36 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.898 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.3 111.097 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.43 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.884 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.94 -36.02 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 72.54 110.894 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -74.98 -40.39 60.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.3 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.64 -52.24 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.5 111.111 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.8 mt -48.61 -52.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.178 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.12 76.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 43.03 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -51.15 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 70.23 110.903 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 5.34 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt 50.41 89.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.897 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.66 149.45 21.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 75.11 110.847 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -92.99 177.02 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.897 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -33.71 66.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.1 -54.03 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -56.58 -33.43 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -73.57 -23.63 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.877 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -88.22 -32.85 18.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.887 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -95.46 22.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.44 111.14 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.43 154.45 17.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.955 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.54 153.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 54.11 110.909 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.65 89.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.676 -0.773 . . . . 55.3 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -94.19 38.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 73.14 111.134 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -125.7 106.16 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 60.34 111.202 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -53.39 105.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.45 -12.34 60.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 73.3 110.949 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.83 -46.4 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.52 111.128 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -84.95 -52.06 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.53 110.913 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.36 -63.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -78.79 -2.89 41.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 51.95 44.97 29.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.912 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.97 146.67 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.907 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -85.53 155.02 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.91 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -54.05 -27.17 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 74.22 110.858 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.63 -43.08 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -48.58 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.858 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -51.83 -50.57 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.85 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.03 -51.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 75.11 111.139 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -31.09 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.87 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.59 -58.09 4.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.948 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.13 -38.91 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.061 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.56 -41.46 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.24 110.924 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.906 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 -37.98 87.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.942 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.23 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 75.15 110.888 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.86 -32.5 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 70.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.78 -57.38 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.855 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -95.47 11.1 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.887 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m 51.77 29.08 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.931 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.5 tp -76.47 156.29 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.09 94.49 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 65.3 110.872 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.75 132.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 75.03 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.58 158.94 19.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.834 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.75 -33.35 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.0 -34.58 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -70.47 -39.71 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 71.01 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.95 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 75.14 111.105 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.38 -19.76 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 70.11 110.94 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.71 13.0 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.882 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -120.0 111.15 17.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.402 . . . . 72.14 110.985 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.6 -48.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.52 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.5 p -82.34 155.12 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.44 111.085 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.45 -48.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.34 111.153 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -54.69 -53.68 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.847 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.22 -50.44 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.817 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.48 -55.6 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.154 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.85 -32.4 69.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.839 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -68.43 -39.12 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.827 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -71.87 -39.33 69.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.938 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -74.52 -40.22 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 75.45 111.145 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.01 79.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.32 111.139 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -54.58 -26.74 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.792 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.911 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.889 0.376 . . . . 70.2 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.92 -39.31 58.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 72.25 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -50.36 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -72.64 -32.4 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.54 111.147 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -50.96 -41.1 58.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.03 110.873 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.46 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.42 111.172 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.11 -47.08 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.62 -43.38 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 71.3 111.116 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -37.6 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.851 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.65 -35.53 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.895 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -74.92 -40.93 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 73.3 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.42 -52.32 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.5 111.119 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mt -48.59 -53.03 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.155 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 -23.17 76.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 43.03 112.417 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -51.02 68.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.874 0.369 . . . . 70.23 110.859 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.33 6.1 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.937 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.01 90.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.971 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.47 164.27 12.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.99 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -111.09 -176.08 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 75.32 110.899 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.15 -38.88 88.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.874 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.85 -41.3 86.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 74.33 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -70.12 -23.06 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.821 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.96 -29.23 20.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.898 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.56 23.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.44 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.25 158.39 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.892 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -159.26 158.96 33.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.861 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.15 -24.07 71.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 55.3 112.506 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 p -106.49 39.04 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 73.14 111.129 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -124.51 115.83 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 60.34 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.15 105.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.936 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -12.96 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.3 110.917 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.91 -45.0 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 111.078 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -84.36 -51.68 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.53 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.36 -62.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 65.14 110.843 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -78.85 -3.03 42.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.958 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.89 38.74 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.8 mt -51.53 148.34 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.899 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.82 157.13 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.9 t -55.16 -25.88 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.835 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.03 -48.88 32.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.876 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -49.68 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.72 -47.66 63.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.885 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -52.74 -52.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.11 111.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -31.34 71.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.81 -58.3 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -59.27 -38.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.15 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 mtp -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.851 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.72 -53.46 57.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.12 110.888 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -37.68 87.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.949 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.18 -52.07 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.878 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.7 -31.03 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 70.42 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.43 -57.47 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.53 110.877 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.07 11.51 33.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 75.51 110.905 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.34 30.35 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 tp -76.6 155.57 33.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.888 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.25 94.7 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.3 110.892 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 mt -104.02 139.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 75.03 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.11 179.64 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.86 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.76 -36.56 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.13 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.3 -42.21 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.783 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.2 -32.45 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.01 110.873 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.1 62.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.14 111.105 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.19 -18.75 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.11 110.862 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.99 8.82 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.937 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.11 88.21 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.42 -37.49 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.962 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -95.84 158.4 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 72.44 111.132 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.28 -55.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.122 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.69 -42.05 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -49.65 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.802 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.4 mt -59.25 -55.71 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.13 111.148 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.71 -34.93 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.24 110.907 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -40.42 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.18 -39.65 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.939 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.1 mt -73.36 -48.33 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 75.45 111.116 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.24 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.32 111.095 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -54.67 -26.81 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.854 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.21 110.896 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 70.2 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.02 -38.6 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -51.18 67.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.835 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -72.54 -32.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.54 111.156 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -40.67 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.913 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.37 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 64.42 111.086 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.3 -46.49 33.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.2 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 m -64.32 -42.83 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 71.3 111.197 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -37.56 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.87 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -68.32 -34.97 77.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.862 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -74.97 -42.59 57.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.3 110.925 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.99 -51.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.148 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.6 mt -49.45 -53.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 75.11 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.95 -23.2 76.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 43.03 112.537 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -50.26 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 70.23 110.864 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.52 5.52 31.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 50.91 89.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.877 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.05 164.79 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -111.15 -176.62 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.928 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.42 -40.32 90.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.903 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.62 -48.55 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.857 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -58.65 -34.05 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.91 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -74.56 -22.88 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -89.0 -30.28 18.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pp -96.55 24.15 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.117 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.43 155.08 18.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.925 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.42 159.49 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 54.11 110.831 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.75 93.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 55.3 112.514 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.2 p -94.65 38.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 73.14 111.133 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -123.55 129.35 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 60.34 111.182 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.23 104.69 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -15.28 63.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.889 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.06 -42.3 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.52 111.096 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -84.76 -52.29 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.903 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.46 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.872 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -78.88 -3.03 42.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.829 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 51.99 46.91 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.905 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.69 150.6 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.24 110.949 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.07 155.55 19.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.879 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 p -53.83 -27.52 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.99 -48.83 33.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 75.23 110.936 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -49.92 73.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.927 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.14 -47.77 65.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.5 t -53.31 -52.31 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.11 111.119 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.78 -31.41 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.66 -58.23 5.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.921 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 pt -59.1 -38.01 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.21 111.144 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.1 -39.2 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.897 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 t -62.81 -53.37 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.892 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.2 -51.96 67.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.52 -30.7 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.42 110.884 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.68 -56.88 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -96.38 10.8 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.91 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t 51.09 30.71 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.903 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.6 tp -76.35 155.19 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.84 94.66 5.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.928 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.59 143.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 75.03 111.103 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.49 -170.68 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.862 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -78.71 -44.75 22.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -57.46 -46.05 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 71.01 110.868 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.99 64.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 75.14 111.037 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.48 -22.62 44.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.91 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 13.9 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.885 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.2 mt -127.77 108.67 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -137.07 -41.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.52 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -88.52 157.03 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 72.44 111.141 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.8 -40.52 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.091 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.04 -55.18 24.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.798 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.02 -50.42 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.884 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.27 -55.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.13 111.083 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.09 -40.73 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.18 -50.11 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.837 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -58.56 -39.39 80.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.883 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -35.89 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.45 111.142 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 -46.14 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.09 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -54.35 -27.34 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.874 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.877 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.805 0.336 . . . . 70.2 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -52.66 -37.09 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 72.25 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.36 -50.81 72.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.946 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 mt -72.76 -32.36 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -51.4 -40.37 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.895 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 64.42 111.121 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.71 -44.98 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.96 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.0 m -65.05 -41.55 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.3 111.187 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -38.16 67.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.94 -35.92 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 72.54 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -74.98 -48.94 21.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.3 110.825 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -56.57 -50.3 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.5 111.179 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -47.97 -51.54 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.11 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.88 -23.2 75.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 43.03 112.506 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.8 t -63.97 -50.79 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 70.23 110.845 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.75 4.63 32.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.926 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 49.62 89.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.914 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.35 167.09 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.879 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.42 -174.73 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.915 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.48 -38.17 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.872 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.43 -46.38 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.921 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -61.87 -36.62 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.89 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.1 -23.78 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.918 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -88.44 -28.9 20.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -99.4 21.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.44 111.14 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 151.43 19.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.93 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -155.75 159.14 39.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 54.11 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.97 -36.16 92.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 55.3 112.447 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -95.15 38.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 73.14 111.149 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -126.98 105.1 8.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 60.34 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -54.62 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.21 -15.33 63.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.893 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.0 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.08 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -84.75 -47.95 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.862 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.57 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 65.14 110.862 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -78.64 -3.38 43.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.916 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 55.15 42.65 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -54.64 141.08 33.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -78.33 155.87 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.866 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -55.1 -25.9 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.88 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.02 -48.8 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -50.15 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.861 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.62 -41.52 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.9 t -57.99 -53.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 75.11 111.201 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.49 -28.25 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.849 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.16 -58.53 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.962 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.9 pt -61.1 -38.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.21 111.101 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.0 mtp -68.28 -42.72 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.833 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -59.65 -53.64 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 73.12 110.871 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.04 -38.02 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.83 -52.07 65.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 75.15 110.917 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.94 -31.49 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -57.42 -55.4 35.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 74.53 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.73 11.52 39.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.869 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t 51.56 29.81 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 74.45 110.87 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 tp -75.44 155.44 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -104.74 94.52 5.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 65.3 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mt -100.98 139.71 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 75.03 111.153 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -110.65 -171.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.1 -46.97 26.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.83 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.72 -32.19 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.01 -46.8 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.19 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.055 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -20.84 57.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 70.11 110.951 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -111.33 11.12 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 mt -123.55 94.47 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 72.14 110.903 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -121.09 -38.1 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.9 p -93.32 153.15 18.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.081 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.42 -52.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.34 111.06 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.97 -42.21 68.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.88 -50.45 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.52 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.8 -55.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.13 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.88 -39.02 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.929 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.0 -44.9 91.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.879 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -64.11 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.943 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.8 mt -74.71 -38.58 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.45 111.137 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.17 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.32 111.058 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 t -54.79 -26.56 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 73.1 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.898 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.458 -0.03 0 CA-C-O 120.869 0.366 . . . . 70.2 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.3 -33.77 76.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.52 -50.42 73.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.985 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.72 -32.29 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 73.54 111.07 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.03 110.904 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.68 69.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.104 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -75.33 -45.59 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.937 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.34 -42.69 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.3 111.081 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -37.47 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -34.93 75.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.54 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 p -75.1 -41.62 58.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.786 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.78 -52.55 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.5 111.153 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.25 -52.8 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.119 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.33 -23.49 75.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 43.03 112.504 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -50.68 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 70.23 110.845 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.34 4.88 31.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.899 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt 50.46 88.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.895 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.7 155.07 18.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.886 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -101.43 -176.29 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.817 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.79 -54.34 47.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.826 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -55.39 -43.08 74.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.902 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.28 -23.05 62.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.895 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.58 -28.43 24.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.44 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.01 23.4 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -90.06 159.09 17.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.925 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.77 145.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.817 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.44 -33.14 39.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.683 -0.77 . . . . 55.3 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -94.22 39.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.14 111.131 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -128.53 104.45 7.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.161 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -53.46 105.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.96 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.1 -11.96 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.97 -46.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.051 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.53 110.926 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.61 -63.17 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 65.14 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.23 -3.93 45.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.882 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 t30 51.43 44.56 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 75.43 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.53 151.56 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.48 155.4 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.946 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -54.46 -26.52 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.881 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -72.82 -48.84 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -49.24 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.68 -46.75 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -54.14 -53.27 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.11 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.91 -29.64 70.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.893 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.21 -58.42 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.857 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -58.89 -38.4 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.145 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -68.51 -40.79 80.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.842 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.28 -53.29 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 73.12 110.814 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.57 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.86 -31.48 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.42 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.35 -57.48 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.906 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -95.72 11.01 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 75.51 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.78 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.805 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.4 155.94 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.949 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -105.24 94.65 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -102.54 134.64 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.03 111.148 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -112.51 160.95 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.1 110.815 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.57 -37.25 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.84 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.98 -29.29 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 75.31 110.877 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -68.48 -40.65 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 71.01 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.93 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.14 111.167 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -22.52 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.11 110.906 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.52 13.59 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -124.58 96.25 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.46 -37.65 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 73.52 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 p -93.78 157.43 16.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.123 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.1 t -57.17 -51.73 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.096 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.21 -52.13 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -56.34 -50.35 71.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.859 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.3 mt -57.22 -55.39 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.13 111.149 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.78 -34.63 69.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -66.96 -41.4 86.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.86 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.63 -39.68 80.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.907 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.45 -35.76 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 75.45 111.143 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.28 67.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.32 111.132 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -26.53 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.851 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 71.21 110.918 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.37 . . . . 70.2 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.3 -38.37 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 72.25 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.8 -51.68 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.2 mt -72.58 -36.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.119 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -51.62 -40.46 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.29 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.42 111.079 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.65 -44.94 39.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.95 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.13 -41.71 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 71.3 111.111 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -38.47 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.954 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.1 -35.74 80.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.886 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -74.73 -49.4 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.22 -50.63 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -47.92 -51.18 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.136 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.38 74.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 43.03 112.484 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -50.37 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 70.23 110.909 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.23 4.32 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.94 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 49.91 88.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.903 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.8 173.0 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.93 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -121.69 -179.54 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.899 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -58.06 -37.3 74.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -71.1 -47.31 58.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -60.73 -37.97 83.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.887 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -73.35 -23.91 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.937 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -87.09 -30.41 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.908 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -98.86 23.31 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.129 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.42 157.5 15.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.938 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.37 160.07 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 54.11 110.879 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.49 -36.43 93.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 55.3 112.475 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -95.43 39.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 73.14 111.157 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -121.6 106.31 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 60.34 111.194 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -55.86 103.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.2 -13.42 60.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.95 -48.77 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.52 111.108 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -84.85 -50.94 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.02 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 65.14 110.88 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -78.79 -2.8 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 54.15 38.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.902 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.44 144.65 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.943 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -83.42 155.97 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.24 110.861 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -54.48 -26.38 30.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.907 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.11 -48.77 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 75.23 110.933 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -48.96 76.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.89 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.99 -42.83 69.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.966 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 80.5 t -57.77 -53.86 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 75.11 111.097 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.22 -28.98 70.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.831 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -66.08 -58.4 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.926 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.61 -38.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 73.21 111.085 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.99 -41.72 81.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 74.24 110.887 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -61.58 -53.41 56.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 73.12 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.97 -37.23 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.947 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -58.05 -51.93 67.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.65 -29.91 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.31 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.53 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -92.79 11.05 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.51 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 t 51.51 29.87 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.901 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -76.52 156.36 32.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.946 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -105.26 94.66 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.914 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.86 137.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.03 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.0 -41.25 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.904 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.81 -50.43 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 71.01 110.821 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.75 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.14 111.091 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -21.51 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.11 110.924 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -18.05 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.86 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -84.82 96.97 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -130.06 10.83 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.89 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -139.88 149.96 44.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.179 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.8 -55.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.119 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -52.84 -47.38 67.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.899 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.27 -50.36 73.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.5 mt -56.03 -55.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.148 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.4 t -57.23 -41.45 79.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.91 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.919 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -68.73 -42.12 78.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.98 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.12 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.107 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.31 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.09 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.5 t -54.47 -27.04 34.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.814 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.913 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 70.2 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -52.7 -38.83 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.833 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.35 -51.4 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.917 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -72.68 -32.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.54 111.187 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.18 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.946 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.28 68.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 64.42 111.104 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -75.69 -44.71 40.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.38 -41.51 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.3 111.208 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -38.39 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.938 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.81 -37.09 83.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.918 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -74.9 -47.42 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.85 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.63 -51.77 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.5 111.158 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.2 mt -49.0 -49.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.184 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.29 -23.35 74.03 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.03 112.492 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.7 -50.04 68.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 70.23 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.12 4.29 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 75.53 110.938 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 49.43 88.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.54 110.933 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.38 149.87 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 75.11 110.969 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.02 164.82 15.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 75.32 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.04 -38.0 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.929 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -72.12 -36.55 69.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.88 -31.34 72.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.884 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -74.96 -22.59 58.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.854 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -88.61 -31.44 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -95.27 23.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 73.44 111.143 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.68 153.51 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.983 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.04 151.47 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 54.11 110.826 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.55 85.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 55.3 112.522 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -95.62 38.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 73.14 111.104 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -128.55 107.69 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 60.34 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -53.8 105.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.882 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.46 -13.7 61.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.938 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.06 -48.32 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.52 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -85.15 -49.4 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.854 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.08 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 65.14 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -78.69 -2.62 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 52.16 60.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.968 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.1 152.79 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.1 155.69 17.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.833 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -54.92 -25.58 30.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.88 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.04 -36.31 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 75.23 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -46.29 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.894 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.25 -44.22 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.831 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.32 -52.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.36 -29.24 70.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.844 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.82 -38.7 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.131 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.58 -41.69 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.914 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -60.39 -53.72 54.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.5 -37.86 88.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.46 -51.9 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.62 -31.9 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.919 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -57.63 -56.24 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.53 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -96.73 10.94 37.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.51 110.859 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 51.86 29.16 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.796 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.2 tp -76.13 156.42 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.898 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.97 94.58 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.3 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 132.32 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 75.03 111.12 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 158.28 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 73.1 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.29 -33.51 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.856 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.908 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -70.6 -39.61 73.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 71.01 110.84 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -22.81 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.182 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -59.23 -20.89 57.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 70.11 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 13.73 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.872 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -122.09 120.51 34.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.38 -47.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.863 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.8 p -84.14 157.44 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.44 111.208 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -56.65 -51.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 74.34 111.142 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.23 -42.62 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -63.69 -50.69 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.853 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.36 -55.85 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.173 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.2 t -54.74 -40.64 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -61.73 -49.22 77.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.834 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -59.45 -39.73 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.953 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.65 -35.64 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.45 111.144 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.16 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -54.42 -27.46 37.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.893 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.867 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.799 0.249 . . . . 74.43 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.3 110.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 71.25 112.503 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -116.23 -35.82 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 72.21 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp -55.68 -25.83 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.9 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.55 150.65 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.167 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.42 93.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 70.2 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.01 -29.47 67.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 72.25 110.928 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.71 -52.29 57.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -72.58 -32.41 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 73.54 111.1 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -51.32 -40.74 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.921 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.61 -31.52 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 64.42 111.094 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.19 -46.33 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.939 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -64.4 -43.06 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.3 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -37.55 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.881 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -68.08 -35.42 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.54 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -74.93 -41.86 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.877 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.17 -51.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.5 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -49.17 -53.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.11 111.099 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.28 76.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 43.03 112.453 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -49.98 72.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 70.23 110.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.63 5.19 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.925 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 50.15 88.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.54 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.97 153.14 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.922 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -101.06 175.98 5.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.15 -41.54 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.82 -54.07 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.21 -40.96 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.878 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -70.71 -22.54 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.935 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -89.44 -21.95 22.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -109.54 22.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.8 155.01 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 73.14 110.938 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.12 158.74 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.11 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.12 -30.55 77.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 55.3 112.454 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 p -99.59 39.0 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.916 0.388 . . . . 73.14 111.165 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -126.39 107.82 10.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 60.34 111.18 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -53.67 104.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.902 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.86 -12.2 60.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.932 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -46.02 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.52 111.142 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -85.14 -51.48 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.893 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.62 -63.22 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.55 -3.79 45.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.893 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.1 47.74 24.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.905 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.9 mt -58.64 150.3 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.937 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -84.64 154.67 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.849 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.6 p -55.22 -25.99 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.884 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -48.53 36.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.23 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -48.83 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.881 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.75 -45.42 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.855 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.58 -52.22 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.11 111.151 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mt -66.76 -58.55 4.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 73.32 110.881 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.0 pt -58.78 -38.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.21 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.49 -39.79 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.882 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -62.62 -53.49 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.09 -37.44 87.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.906 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.62 -52.0 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.841 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.6 -29.47 64.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.868 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -60.78 -57.89 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -95.18 10.81 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.51 110.867 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m 51.51 30.41 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.857 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 tp -76.26 155.54 34.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.36 94.67 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.3 110.88 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -99.87 143.61 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.123 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 m -112.32 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.855 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -75.67 -41.78 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.02 -32.49 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.83 -47.28 80.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -23.18 63.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.14 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.61 -24.03 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 70.11 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.57 12.84 21.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.8 mt -121.93 97.98 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -126.08 -37.62 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 73.52 110.9 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -86.86 158.37 19.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 72.44 111.141 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.3 -53.97 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.881 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.12 -50.54 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.2 -55.75 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.13 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.72 -38.72 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.907 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.67 -46.73 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.835 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.889 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 62.3 mt -73.61 -35.73 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.45 111.138 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.16 -46.12 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.32 111.111 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -54.37 -27.05 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 73.1 110.849 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -81.78 -30.33 32.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 t -82.38 -172.59 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.802 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -108.42 -37.36 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 64.32 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.16 132.33 50.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.89 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.115 0 CA-C-O 120.786 0.244 . . . . 74.43 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.98 -170.06 12.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 71.25 112.563 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -139.04 155.69 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 72.21 110.806 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -32.84 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.13 110.898 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.0 t -61.81 148.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 72.33 111.142 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -98.59 102.89 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 70.2 110.832 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.29 -33.93 55.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.54 -51.23 69.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.78 -32.4 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.105 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -40.44 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.914 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.46 69.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.138 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -75.28 -46.52 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 m -64.35 -42.93 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 71.3 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -37.59 74.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.829 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.31 -34.96 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -41.75 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.41 -51.57 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.5 111.138 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt -49.13 -52.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -23.22 76.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 43.03 112.452 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -50.16 71.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 70.23 110.897 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.37 4.62 31.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt 51.06 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.911 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.19 166.99 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.925 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -111.87 -170.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.57 -40.09 88.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.846 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.67 -47.84 68.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.888 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -59.9 -38.34 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.885 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.7 -22.78 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.91 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -88.86 -27.72 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -101.85 22.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.057 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 153.2 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.875 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -155.14 159.18 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 54.11 110.833 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.59 -27.25 73.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 55.3 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -102.92 38.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 73.14 111.126 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m -125.46 107.64 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 60.34 111.154 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -54.15 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 71.14 110.969 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.28 -13.96 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.3 110.964 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.88 -49.05 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.111 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -84.63 -48.69 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.19 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 65.14 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -78.92 -3.19 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.939 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m120 54.62 38.32 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -51.46 147.41 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.95 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.97 156.24 21.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.24 110.941 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 p -55.01 -26.31 36.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.22 110.848 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.06 -48.8 32.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 75.23 110.936 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -50.19 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.847 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.89 -46.33 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.08 -54.64 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 75.11 111.087 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.97 -29.06 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.61 -58.14 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.32 110.992 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.5 pt -59.88 -36.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.136 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.7 mtp -69.07 -41.61 77.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.815 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -62.27 -50.49 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.12 110.85 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.11 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.854 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.97 -51.97 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -71.7 -31.23 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.42 110.88 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -59.21 -56.32 23.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 74.53 110.837 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -96.68 10.34 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.888 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p 51.66 29.54 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.898 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.5 tp -75.39 155.22 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.944 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -103.86 94.58 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.3 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.86 138.7 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.114 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -108.98 -171.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.1 110.842 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.94 -37.59 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.85 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -74.87 -39.84 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -52.75 -49.79 64.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.9 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -20.61 57.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 70.11 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.92 -21.8 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.1 mt -80.93 92.64 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.36 -30.1 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.905 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -102.84 151.25 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.094 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 t -53.49 -51.0 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.126 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -52.64 -42.73 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -65.87 -46.85 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.74 -55.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.07 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.5 t -58.25 -40.36 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -63.32 -39.97 96.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.846 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.18 -38.31 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.968 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.53 -40.19 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 75.45 111.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.32 72.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.114 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -54.43 -27.11 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -77.69 -40.61 40.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.902 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -54.68 -65.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.873 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -54.65 -56.3 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.32 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -115.93 87.64 2.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.863 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.118 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.124 0 CA-C-O 120.898 0.291 . . . . 74.43 112.356 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.83 72.26 1.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.762 -0.733 . . . . 71.25 112.453 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -114.41 146.95 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 72.21 110.867 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 30.3 ttm -77.24 -25.92 52.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.803 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -56.27 141.54 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.158 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -67.09 89.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.2 110.821 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -52.41 -29.67 25.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.45 -52.74 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.66 -33.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.141 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -51.57 -40.89 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.846 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -31.3 69.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 64.42 111.1 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.13 -46.78 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 75.2 110.891 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -63.92 -43.56 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 71.3 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.57 76.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.864 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.77 -35.66 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 72.54 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -74.76 -40.43 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.896 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.63 -52.76 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 75.5 111.101 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.6 mt -48.32 -52.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.154 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.14 -23.27 76.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 43.03 112.489 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -50.88 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 70.23 110.852 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.46 5.63 31.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 50.88 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.28 160.97 14.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.9 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.436 HD22 ' NE2' ' A' ' 27' ' ' GLN . 2.4 p-10 -107.09 -178.16 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.865 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.02 -42.17 84.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.846 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.13 -54.09 39.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' NE2' HD22 ' A' ' 24' ' ' ASN . 2.1 mp0 -56.73 -37.73 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -74.59 -23.79 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.968 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.32 -21.4 24.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.902 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -108.4 22.6 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.095 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.05 158.92 15.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.948 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.1 159.93 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 54.11 110.862 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.46 70.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 55.3 112.49 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 p -108.19 39.23 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 73.14 111.204 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 110.29 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 60.34 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.31 105.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.99 -13.41 61.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.913 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.85 -45.1 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.04 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -52.86 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -50.5 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.14 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -78.73 -2.83 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.9 40.02 27.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.7 mt -51.34 156.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.905 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -98.14 157.66 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.943 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.9 p -55.66 -25.15 37.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.831 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.92 -36.5 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -47.06 26.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.906 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -51.85 -46.57 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.22 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.75 -54.86 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 75.11 111.116 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.7 -32.2 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.49 -58.09 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.946 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.04 -37.09 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.17 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.04 -42.36 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.9 p -62.52 -51.47 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 73.12 110.89 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.64 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 75.25 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.19 -51.99 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.932 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.68 -27.74 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 70.42 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -62.51 -57.0 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.926 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -95.43 11.07 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.835 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t 51.64 29.37 5.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 74.45 110.867 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.6 tp -75.18 155.02 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 74.25 110.951 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.33 94.37 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.2 mt -98.3 141.34 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 m -110.82 -171.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 73.1 110.852 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -77.87 -45.59 23.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.843 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.62 -30.91 61.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.77 -46.69 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 71.01 110.886 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -23.03 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.14 111.083 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.83 -20.2 55.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 70.11 110.944 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -111.46 10.25 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.9 mt -122.24 95.3 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -123.61 -41.96 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -84.2 163.48 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.44 111.08 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.89 -55.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.34 111.134 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -54.39 -45.27 72.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.833 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.98 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.905 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.67 -55.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.13 111.158 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.45 -37.04 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.895 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -64.99 -49.11 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.883 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -60.41 -38.44 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.948 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.56 -35.95 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.45 111.106 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.51 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.069 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -54.44 -26.79 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.906 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -81.29 -32.08 33.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -82.17 -173.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.911 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.0 m -119.05 26.63 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.937 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -105.75 38.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 73.32 110.896 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.108 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.859 0.275 . . . . 74.43 112.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.46 132.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 71.25 112.521 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -173.53 166.11 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 72.21 110.88 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -75.26 -33.68 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.904 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -51.53 148.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 72.33 111.154 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -63.82 93.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 70.2 110.847 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -58.67 -30.95 67.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.82 -52.6 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.54 -32.31 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.54 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.05 -40.6 58.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.886 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.82 -31.56 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.42 111.146 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.1 -46.28 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 m -64.69 -43.2 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.3 111.108 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -37.47 75.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.845 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -68.36 -35.68 78.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.54 110.926 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -74.87 -40.89 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.3 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.71 -53.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 75.5 111.123 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -48.19 -52.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.11 111.161 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.31 -23.16 76.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 43.03 112.485 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -51.15 67.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 70.23 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.2 5.23 32.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 75.53 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 50.12 89.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.913 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.43 149.47 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.922 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -95.94 -179.66 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -49.36 70.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.899 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.22 -54.53 44.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.46 -46.95 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.929 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -67.58 -22.63 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.882 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.99 -19.39 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -113.98 21.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.167 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.73 154.93 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.878 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -158.03 159.38 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 54.11 110.824 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.68 -30.67 76.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 55.3 112.503 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -100.08 38.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 73.14 111.157 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.02 107.55 10.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 60.34 111.151 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -53.66 103.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.844 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.8 -12.25 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 73.3 110.948 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.22 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.52 111.083 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -85.1 -52.38 5.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -50.12 -63.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 65.14 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -78.67 -2.98 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.844 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.57 47.5 24.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 75.43 110.893 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.8 143.99 45.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 74.24 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.66 155.26 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.24 110.839 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -55.14 -26.04 35.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -72.73 -40.88 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.929 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -48.14 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.844 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.92 -49.09 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.892 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.95 -51.46 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -30.92 71.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 74.41 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.55 -58.24 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.967 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.66 -38.55 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.21 111.179 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.57 -41.33 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.892 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 t -60.1 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.786 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.68 -37.82 87.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -56.29 -52.21 65.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 75.15 110.86 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -71.82 -31.99 67.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.42 110.907 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -57.14 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.44 11.52 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.928 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t 51.58 29.46 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 74.45 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.6 tp -75.29 155.76 36.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.73 94.63 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.3 110.835 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 mt -103.07 137.48 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.186 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -112.42 159.25 18.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -51.86 -32.7 33.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -44.77 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.867 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -55.59 -39.98 71.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 71.01 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -23.19 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.39 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 70.11 110.898 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -110.72 3.71 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -112.94 112.27 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.868 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -137.43 -42.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 p -87.77 159.49 18.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.12 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.36 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.12 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -52.64 -49.25 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -56.54 -50.44 71.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.57 -55.78 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.115 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.2 t -55.66 -37.99 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.12 -45.95 86.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.59 -39.66 94.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.926 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 81.5 mt -73.94 -35.77 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.45 111.147 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.77 81.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t -54.37 -26.79 32.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 73.1 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -86.06 -51.51 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.912 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.3 m -114.72 127.83 55.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 70.12 110.808 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -118.38 -47.39 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 64.32 110.874 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -131.81 51.6 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 72.25 111.106 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.845 0.269 . . . . 74.43 112.382 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.95 -103.41 2.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 71.25 112.453 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -121.19 66.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 72.21 110.839 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 mtt -52.92 -56.88 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 72.13 110.81 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -93.07 138.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.169 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -65.12 91.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 70.2 110.88 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -54.36 -30.25 51.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.822 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.42 -52.74 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.924 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -72.57 -32.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 73.54 111.105 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -51.66 -40.48 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.935 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.41 69.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 64.42 111.145 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.29 -46.17 35.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.815 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.1 m -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 71.3 111.204 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -37.78 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.891 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.26 -34.97 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 p -74.83 -40.77 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.802 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.8 -53.0 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.5 111.14 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.6 -52.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.11 111.118 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.38 -23.07 76.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.756 . . . . 43.03 112.536 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -50.25 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 70.23 110.923 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 4.85 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.887 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 51.8 91.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -96.58 165.67 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 75.11 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.43 172.78 6.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.876 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -55.03 -25.95 33.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.934 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.8 -43.65 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.29 -25.27 62.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -75.63 -44.89 40.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.821 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.95 -23.23 66.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -105.87 19.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.13 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 148.35 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 73.14 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -155.98 159.33 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 54.11 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.96 92.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 55.3 112.433 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -93.95 39.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 73.14 111.103 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -124.88 105.34 9.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 60.34 111.119 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -53.58 105.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.919 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.97 -13.02 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.904 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.66 -47.36 12.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.52 111.113 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -84.9 -50.84 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.65 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 65.14 110.884 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -78.75 -2.87 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 73.13 110.909 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 53.51 39.86 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 75.43 110.818 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -52.5 155.07 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 74.24 110.901 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 157.94 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.88 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -55.23 -26.17 37.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.824 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.93 -48.65 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 75.23 110.948 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -49.11 78.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.826 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -51.79 -48.34 63.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.2 t -54.58 -52.04 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.105 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.47 -30.14 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.898 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.51 -58.18 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.32 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -38.29 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.143 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.66 -41.0 79.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.85 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.23 -53.28 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.918 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.35 -37.92 88.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.865 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -57.18 -52.13 66.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.843 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.54 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 70.42 110.852 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.83 -57.6 12.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -95.39 11.12 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.851 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.54 29.85 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.842 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.2 155.83 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.25 110.887 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -104.87 94.61 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 65.3 110.849 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.03 137.97 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.219 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -111.98 171.95 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.1 110.837 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.05 -39.9 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.13 110.909 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.95 -33.96 62.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.921 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.12 -48.11 76.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.01 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.02 64.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.44 -24.11 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.11 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -111.52 13.46 21.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.9 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.88 99.16 6.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 72.14 110.985 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -123.44 -37.73 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -93.08 153.31 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.44 111.144 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.0 t -52.61 -52.13 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.087 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -52.92 -40.85 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 73.31 110.858 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -48.96 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.39 -55.02 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 74.13 111.185 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.4 t -55.63 -43.31 76.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.846 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -61.48 -45.92 92.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.854 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -62.1 -38.26 88.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.889 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.67 -35.82 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 75.45 111.119 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.71 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.32 111.111 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -54.45 -26.62 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.83 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -86.71 -55.75 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.897 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.66 56.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 70.12 110.81 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -72.49 -29.4 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.92 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.4 t0 62.97 45.81 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.867 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 72.25 111.135 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.761 0.234 . . . . 74.43 112.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.1 -169.05 24.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.503 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -130.2 141.37 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 72.21 110.833 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.3 mmm -75.71 -25.66 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.898 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.07 147.76 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -64.63 93.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.897 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -30.15 63.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 72.25 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.16 -51.93 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.4 -32.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.54 111.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -39.62 63.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.899 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.79 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.42 111.137 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.51 -45.92 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.84 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 m -64.33 -42.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.3 111.098 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -37.62 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.923 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -67.97 -35.43 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.903 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -75.1 -40.74 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.3 110.882 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.29 -51.39 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 75.5 111.105 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.5 mt -49.38 -52.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.11 111.127 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.49 -23.03 76.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 43.03 112.536 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -50.5 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 70.23 110.832 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.35 3.79 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.938 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mttm 52.91 92.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.897 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.67 168.29 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.898 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.43 HD22 ' NE2' ' A' ' 27' ' ' GLN . 2.6 p30 -117.6 -179.35 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.38 -31.84 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.12 -55.5 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.873 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' HD22 ' A' ' 24' ' ' ASN . 0.8 OUTLIER -58.5 -35.06 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.956 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -73.19 -22.75 60.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.23 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -88.98 -28.27 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.945 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -100.95 22.56 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 73.44 111.144 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 153.86 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.926 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.52 146.13 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 54.11 110.861 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.22 -30.41 61.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 55.3 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -98.14 38.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 73.14 111.163 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -127.85 108.93 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 60.34 111.157 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.12 104.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 71.14 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.1 mt -66.13 -13.49 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.895 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 -49.35 12.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.138 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -85.32 -49.91 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.56 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.14 110.897 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.6 -2.76 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.844 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.95 42.97 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.852 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.96 151.32 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.973 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.06 154.37 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -53.52 -27.1 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.843 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.8 -48.68 36.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -49.26 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.909 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.06 -45.07 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.865 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.54 -55.75 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -59.77 -30.61 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -57.98 6.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.1 pt -62.62 -37.09 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.094 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtp -68.0 -41.75 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.863 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -63.42 -52.02 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.12 110.89 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.28 -41.93 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.25 110.973 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -52.22 66.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.842 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.15 -22.69 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.42 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -67.51 -55.58 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -92.99 16.21 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.888 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 52.07 26.58 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.45 110.878 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.99 165.82 24.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.867 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 93.93 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 65.3 110.874 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.87 138.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 75.03 111.17 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.02 -172.8 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.84 -39.35 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.867 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.34 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.13 -36.17 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.01 110.929 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -23.14 62.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.062 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.61 -18.36 59.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.954 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -111.64 12.01 21.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -122.56 111.12 16.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.87 -46.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.92 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 p -91.8 159.6 15.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.44 111.17 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.21 -53.24 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 74.34 111.09 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.77 -47.25 67.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.876 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -58.91 -48.18 82.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.52 110.838 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.4 mt -59.24 -55.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 74.13 111.181 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.2 t -54.89 -37.46 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.861 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -46.69 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.904 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -61.81 -39.34 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.6 mt -74.75 -36.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.45 111.129 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.94 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.134 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -54.44 -26.53 31.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.828 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -83.55 -29.32 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.917 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -86.09 -172.59 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 70.12 110.848 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -70.99 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 64.32 110.89 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.9 t0 56.94 45.23 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 73.32 110.82 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.25 111.124 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.093 0 CA-C-O 120.819 0.258 . . . . 74.43 112.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.26 164.57 13.21 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.753 -0.737 . . . . 71.25 112.514 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -158.63 159.34 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 72.21 110.813 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.4 -25.6 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.13 110.886 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -70.13 134.17 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -90.14 111.0 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.2 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.61 -35.4 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.25 110.918 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -60.83 -51.27 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 73.41 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.8 -32.48 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.54 111.075 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -40.26 60.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.922 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.72 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.141 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.44 -45.35 39.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.864 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -66.03 -41.98 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 71.3 111.125 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -37.45 72.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.901 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.875 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 p -74.96 -42.34 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.908 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.51 -53.24 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 75.5 111.064 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -48.34 -52.4 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.144 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.21 76.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 43.03 112.482 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -50.9 67.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 70.23 110.921 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.59 6.44 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 75.53 110.881 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt 50.05 89.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.54 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.86 154.87 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.919 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -96.84 -169.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.935 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.17 -50.51 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 72.21 110.809 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -61.3 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.913 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -57.71 -40.37 79.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 74.33 110.917 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -72.75 -22.57 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.91 -24.9 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.44 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.84 23.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.04 149.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.927 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.21 159.75 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.11 110.82 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.66 -16.8 61.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 55.3 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.5 p -111.46 38.96 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 73.14 111.107 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -129.44 114.42 16.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 60.34 111.109 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -59.82 106.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -67.41 -15.1 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.02 -44.25 12.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.085 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.884 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.75 -61.96 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 65.14 110.857 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -79.05 -2.79 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.888 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.9 t30 51.83 44.09 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 75.43 110.859 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.99 153.66 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.968 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 156.39 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.882 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.8 t -54.52 -26.36 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.84 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.86 -44.35 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -49.41 71.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.1 -50.19 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 74.22 110.819 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.9 t -52.47 -51.94 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.11 111.113 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.54 -31.17 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.08 -58.23 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.915 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.45 -38.42 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.21 111.179 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.06 -40.08 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.84 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -61.56 -53.42 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.904 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.07 -38.0 87.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.905 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.07 -51.88 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.59 -32.26 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 70.42 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -57.71 -55.65 32.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -97.64 10.48 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.51 110.861 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.57 30.11 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.45 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 tp -75.76 155.52 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 74.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -102.55 94.66 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.3 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -102.41 142.67 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 75.03 111.119 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -112.05 -170.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.38 -44.12 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.848 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.88 -27.06 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.07 -43.09 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.83 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.05 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.98 45.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 70.11 110.905 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 13.74 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.908 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 mt -127.85 88.76 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.837 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -118.31 -30.38 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.839 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -99.22 160.95 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.166 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.86 -45.69 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.432 . . . . 74.34 111.127 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -60.21 -48.71 80.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.87 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.8 mt -60.64 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.159 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.8 t -56.39 -40.47 74.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -62.66 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.43 -38.75 90.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.892 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.1 mt -73.88 -35.95 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.45 111.107 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.74 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.32 111.096 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -54.38 -27.17 34.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.888 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -80.73 -34.25 34.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.939 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -85.95 -174.29 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 70.12 110.836 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.6 t -118.91 28.92 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 64.32 110.881 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 61.93 29.65 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.32 110.836 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.25 111.066 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.465 -0.183 0 CA-C-O 120.878 0.283 . . . . 74.43 112.417 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.31 176.04 18.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 71.25 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -137.39 96.66 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 72.21 110.898 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 tpt -90.39 -25.99 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 72.13 110.855 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.24 155.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 72.33 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -51.25 103.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 70.2 110.908 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.49 -33.76 74.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.11 -49.98 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.79 -32.32 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.54 111.168 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -51.77 -40.71 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.913 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.52 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 64.42 111.093 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.43 -45.89 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.2 110.913 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 m -65.04 -42.78 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 71.3 111.16 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -37.45 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.21 110.902 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.47 -35.18 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.54 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -74.9 -41.89 58.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.29 -51.32 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.2 mt -49.35 -53.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 75.11 111.076 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.19 76.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 43.03 112.536 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -50.21 71.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 70.23 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 4.71 30.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.886 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mttt 51.25 90.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.921 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.52 157.64 15.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.892 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -100.71 -175.41 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.21 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.868 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.21 -53.95 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -53.36 -41.03 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.917 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -72.73 -24.11 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -87.36 -15.75 36.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.943 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -115.05 22.6 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.67 155.32 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.953 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.1 159.14 37.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 54.11 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.11 86.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 55.3 112.51 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -98.19 39.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 73.14 111.169 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.2 m -126.3 108.42 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 60.34 111.162 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -55.85 105.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.69 -12.44 60.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.52 -45.19 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.085 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -85.32 -51.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.53 110.935 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -51.22 -63.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.816 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.39 -3.4 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 73.13 110.859 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 51.6 62.81 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -72.97 155.42 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.952 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.07 154.92 18.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.942 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.5 m -53.13 -28.35 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.836 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 mt -72.78 -48.77 35.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.91 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.33 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.896 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.65 -47.66 63.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.11 -52.52 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.099 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.3 -31.77 72.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.887 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.41 -58.25 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -58.82 -38.7 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.165 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.6 -41.88 78.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.952 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -60.0 -53.53 56.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.866 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.2 -38.51 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.916 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.75 -52.22 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.15 110.873 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.94 -31.18 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 70.42 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -57.67 -54.71 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.861 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -100.11 11.47 39.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.425 . . . . 75.51 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.65 29.61 5.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.902 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.9 tp -75.6 155.72 35.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.855 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -104.81 94.59 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 65.3 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mt -101.62 141.26 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -112.44 -170.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.814 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.55 -42.51 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.13 110.896 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.54 -31.92 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -57.84 -46.55 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.26 -22.11 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -24.84 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 70.11 110.889 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 10.83 20.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -118.97 96.34 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.12 -37.91 2.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.862 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.5 p -90.54 159.01 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.44 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.8 -50.23 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 74.34 111.07 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.32 -45.52 80.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.835 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.66 -50.49 70.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.811 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.5 mt -59.73 -55.73 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.202 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -57.65 -34.22 69.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.928 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -67.71 -42.28 82.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.861 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.89 -38.29 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.93 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.4 mt -74.73 -44.03 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.45 111.223 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.51 89.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.168 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -26.73 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.844 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -80.59 -51.36 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.94 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -52.17 -31.64 32.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 70.12 110.851 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -55.73 -31.68 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.32 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -121.99 62.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 73.32 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.105 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.8 0.25 . . . . 74.43 112.395 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.14 141.61 15.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.496 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -54.18 105.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 72.21 110.913 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.5 tpt -61.8 -33.06 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.866 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -73.17 149.12 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.33 111.11 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -78.58 90.93 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.2 110.857 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -52.09 -29.96 23.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.3 -52.59 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.905 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -72.71 -33.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 73.54 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -52.4 -40.01 61.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.03 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.38 68.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 64.42 111.043 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.69 -44.72 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.2 110.923 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.32 -41.71 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.3 111.191 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -38.43 68.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.894 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.03 -36.19 81.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.855 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -74.02 -49.28 25.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.846 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.3 t -56.46 -51.01 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.5 111.069 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -47.88 -50.22 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.11 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.38 73.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.711 . . . . 43.03 112.487 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -49.82 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 70.23 110.891 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.57 3.1 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 89.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.87 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.65 166.69 13.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -112.37 -171.63 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -34.3 77.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.833 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.12 -49.44 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.825 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.42 -43.71 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 74.33 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.02 -24.38 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.39 -29.12 23.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.969 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -101.31 20.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.194 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 154.67 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.869 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -158.6 158.17 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.11 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.58 -31.01 78.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 55.3 112.511 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 p -99.6 38.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 73.14 111.118 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -125.42 106.5 9.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 60.34 111.165 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -53.8 104.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.14 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.12 -12.86 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 73.3 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.25 -47.61 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.109 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -50.79 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -64.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 65.14 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -78.82 -2.49 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 t30 52.37 43.27 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -54.9 146.63 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.17 155.85 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.879 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 p -54.9 -26.84 38.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.906 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 mt -72.88 -48.79 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -48.85 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -53.43 -41.91 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.861 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.06 -54.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.16 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.891 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.07 -58.59 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -61.18 -38.87 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.122 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 mtp -68.13 -40.9 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.901 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -61.63 -52.66 63.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 73.12 110.84 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.67 -37.06 83.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -57.89 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.44 -32.66 68.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -58.03 -59.79 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.53 110.85 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.32 10.34 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.887 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.76 29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.905 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.04 156.42 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 74.25 110.917 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.78 94.61 5.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.54 142.32 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.03 111.156 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -111.09 -171.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.871 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.87 -37.07 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.869 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -74.91 -40.41 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -53.35 -48.5 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 71.01 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.79 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 75.14 111.096 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -21.31 54.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.11 110.904 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -18.04 13.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.45 94.03 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 72.14 110.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.8 -33.08 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 p -96.39 153.94 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.44 111.116 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.47 -51.95 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 74.34 111.08 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -52.75 -49.78 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.31 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.73 -49.5 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.3 mt -59.43 -55.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.106 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.23 -43.46 78.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.879 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.96 -42.86 95.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.863 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.94 -40.8 95.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 74.13 110.967 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.49 -35.82 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 75.45 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.6 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 74.32 111.097 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -54.28 -26.78 31.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -82.75 -35.02 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 71.21 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -71.21 -170.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 70.12 110.855 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 p -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.32 110.834 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 58.83 31.07 20.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.127 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.85 0.271 . . . . 74.43 112.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.87 -162.04 32.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 71.25 112.46 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -134.34 35.12 3.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.9 0.381 . . . . 72.21 110.847 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.0 mtm -85.0 -40.47 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.817 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.75 144.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.33 111.116 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -85.96 106.15 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.2 110.86 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.17 -34.05 73.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.42 -51.32 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.863 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.66 -32.13 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -51.21 -40.57 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 74.03 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.79 69.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.107 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -75.3 -45.55 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 m -65.79 -42.21 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -37.2 73.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 75.21 110.877 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.56 -35.15 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.54 110.868 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -75.0 -42.15 58.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.82 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -51.62 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.075 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -49.45 -52.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.11 111.152 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.19 75.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.722 . . . . 43.03 112.455 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -50.58 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 70.23 110.905 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.42 5.04 31.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.933 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.01 91.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.957 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.33 169.4 9.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.11 110.905 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -115.97 -175.09 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.924 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.05 -35.74 81.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.848 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.63 -48.0 43.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.908 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -58.74 -34.32 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -74.8 -22.54 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.09 -30.39 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pp -93.66 18.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.162 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.86 155.69 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.874 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.08 159.68 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.11 110.839 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.36 -19.06 63.91 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 55.3 112.546 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.3 p -113.73 38.98 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 73.14 111.124 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -123.49 110.7 15.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 60.34 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -55.35 104.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.98 -14.63 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.3 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.21 -44.25 14.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.099 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -84.59 -51.7 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.53 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.28 -63.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.86 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -78.77 -3.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.951 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t30 52.7 46.52 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 75.43 110.868 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 154.17 20.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.89 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -53.42 -27.76 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.838 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.21 -49.09 29.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.955 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -50.15 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.875 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.54 -49.1 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.9 t -53.15 -51.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 75.11 111.13 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -31.3 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.848 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.63 -58.4 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.956 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 pt -58.25 -38.31 67.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 73.21 111.167 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -69.44 -39.66 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.86 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 t -61.34 -53.7 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.12 110.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.21 -38.84 88.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.858 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.17 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 75.15 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.84 -31.84 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.42 110.848 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -57.17 -55.24 37.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.87 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -99.36 11.28 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.817 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t 51.58 29.59 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.45 110.86 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.3 tp -75.41 155.63 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -103.78 94.56 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 65.3 110.897 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.95 139.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.03 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -112.49 -171.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.1 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.67 -35.2 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.859 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.0 -41.62 59.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -55.72 -53.05 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 71.01 110.853 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.16 -22.63 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.099 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -20.43 50.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 70.11 110.869 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -17.61 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.892 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.14 92.11 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -122.65 -4.89 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.52 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.2 154.81 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.147 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.77 -54.33 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.34 111.151 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.75 -46.31 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.879 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.64 -50.45 72.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.879 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.0 mt -58.43 -55.82 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.088 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.8 t -58.07 -42.84 86.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.472 . . . . 72.24 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -59.78 -39.4 84.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -69.05 -41.35 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.955 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.52 -36.91 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 75.45 111.134 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.06 69.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 74.32 111.074 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.3 t -54.65 -26.71 34.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 73.1 110.796 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -78.41 -44.48 24.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -56.39 -54.15 48.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.858 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t -55.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.32 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.79 167.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.051 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.778 0.241 . . . . 74.43 112.41 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.89 121.75 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 71.25 112.472 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -171.78 136.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 72.21 110.823 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.3 tpt -57.03 -25.29 58.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.839 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.16 149.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.094 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -84.36 104.25 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.2 110.864 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.49 -33.7 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 72.25 110.798 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.04 -51.42 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.846 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 mt -72.75 -32.19 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 73.54 111.097 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -51.76 -40.17 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.69 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 64.42 111.056 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.43 -45.06 41.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.2 110.869 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.15 -42.08 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.155 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -37.39 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.89 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.874 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 t -74.92 -41.94 58.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.958 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.87 -52.75 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 75.5 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.2 mt -48.83 -51.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.11 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.2 75.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 43.03 112.555 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -50.63 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 70.23 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 5.82 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.911 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 52.79 92.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.54 110.881 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.46 175.0 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 75.11 110.899 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -118.47 -176.34 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.887 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.78 -33.36 75.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.838 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.29 -49.73 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.896 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -54.11 -27.78 35.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.917 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -74.76 -32.02 61.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 75.23 110.866 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.64 -51.0 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.879 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.86 -27.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.44 111.152 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.19 158.97 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.865 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.24 159.54 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 54.11 110.879 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.76 -13.71 59.51 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 55.3 112.519 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.9 p -121.07 38.73 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.14 111.151 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -125.36 108.8 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 60.34 111.096 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.48 105.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -68.1 -14.91 63.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.915 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 -44.42 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 74.52 111.074 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -84.32 -50.64 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.968 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.59 -62.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.847 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -78.75 -7.54 57.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.842 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.03 37.16 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 75.43 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.1 mt -51.44 151.0 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.913 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 156.61 16.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.916 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 m -53.46 -27.32 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.906 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 mt -73.0 -48.82 33.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -50.3 73.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.875 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.05 -49.95 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.893 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.6 t -52.28 -52.15 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 75.11 111.129 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.943 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.99 -58.21 4.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 pt -58.53 -38.18 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.21 111.113 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -69.21 -38.54 78.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.86 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -63.18 -53.28 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.877 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.44 -37.37 85.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.47 -51.91 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.15 110.911 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.81 -31.31 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.01 -56.55 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.811 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.53 10.5 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 t 51.65 29.55 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.894 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.11 156.01 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.39 94.6 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.3 110.943 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.83 138.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.45 159.09 19.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.1 110.806 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.06 -36.61 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.04 -38.02 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.91 -37.5 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.85 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.25 -23.14 62.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.14 111.031 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -60.24 -19.79 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.11 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -111.05 10.87 22.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.3 mt -122.87 94.64 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.849 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.1 -36.83 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.863 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 p -92.14 164.24 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.44 111.165 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -61.79 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 111.155 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.76 -43.47 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.86 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -50.56 73.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.52 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.2 mt -62.07 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.093 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.19 -42.02 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.898 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -60.47 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -57.68 -41.79 82.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.88 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.67 -35.8 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 75.45 111.101 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -27.49 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.789 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -80.23 -57.67 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -52.11 -30.16 24.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.893 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -64.38 -37.87 89.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 64.32 110.821 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -175.99 155.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.25 111.08 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.785 0.244 . . . . 74.43 112.255 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.58 -53.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 71.25 112.416 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -57.5 168.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 72.21 110.841 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.7 mmt -66.28 -51.96 52.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.869 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.47 136.18 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 72.33 111.092 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -89.64 102.36 15.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 70.2 110.864 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -51.81 -39.15 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.25 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.04 -51.12 68.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -72.61 -32.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.113 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -39.85 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.897 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.11 -31.66 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 64.42 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.64 -44.98 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.969 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -65.57 -41.5 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 71.3 111.125 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -37.81 68.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.868 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -67.83 -35.76 79.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 72.54 110.913 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -74.84 -48.14 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.825 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.2 t -57.43 -52.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.5 111.156 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.0 mt -47.93 -48.99 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.11 111.142 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.7 -23.13 73.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 43.03 112.551 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 t -65.42 -49.34 69.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 70.23 110.885 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.34 2.3 31.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.937 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 51.87 91.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.891 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.19 156.13 16.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 75.11 110.93 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -98.62 -169.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -47.24 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.867 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.69 -45.03 94.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.4 -38.65 74.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.886 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -72.41 -23.46 61.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -88.08 -26.61 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -102.42 23.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 73.44 111.104 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.75 153.2 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.898 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -157.0 154.77 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 54.11 110.877 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.705 -0.759 . . . . 55.3 112.518 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -97.71 38.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 73.14 111.091 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -124.75 106.58 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 60.34 111.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -53.72 105.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.844 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.55 -13.41 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.3 110.964 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.8 -49.11 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.082 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -84.96 -50.48 7.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 74.53 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.28 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 65.14 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -78.84 -2.47 39.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.907 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 53.77 38.91 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.926 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.95 146.7 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.97 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.78 155.41 21.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.904 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -54.18 -26.54 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.889 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 mt -73.1 -49.08 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 75.23 110.927 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.33 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.86 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.34 -42.44 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.3 t -57.7 -54.13 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 75.11 111.151 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.38 -28.38 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.879 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -66.06 -58.57 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 pt -61.7 -38.38 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.096 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -68.28 -41.6 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.859 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -61.22 -53.68 53.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.843 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.23 -36.91 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 75.25 110.907 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.1 -51.57 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.47 -31.28 66.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 70.42 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.36 -58.01 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -94.91 10.21 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.51 110.863 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 t 51.68 29.68 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -75.83 155.97 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.868 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.63 94.56 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 65.3 110.943 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -101.76 138.77 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.03 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -178.55 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.96 -48.39 63.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 74.13 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.91 -39.76 94.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.902 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.92 -50.37 70.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.01 110.866 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.1 -22.74 64.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.14 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.03 -21.97 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.11 110.912 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 -18.56 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.62 89.65 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.978 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.15 -36.02 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.79 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 p -94.64 150.96 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.225 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -54.7 -50.84 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 74.34 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -52.62 -47.01 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 73.31 110.888 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.73 -48.9 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.4 mt -58.23 -55.71 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.117 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.2 t -56.41 -42.0 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -41.71 97.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.829 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.924 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.8 mt -72.41 -36.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.45 111.105 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.1 -45.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.039 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 t -54.48 -27.16 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.1 110.816 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -81.44 -52.69 6.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -52.83 -30.28 32.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.854 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.9 m -79.43 -58.07 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 64.32 110.862 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -133.74 120.26 20.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.871 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 72.25 111.09 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.107 0 CA-C-O 120.753 0.23 . . . . 74.43 112.284 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.41 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 71.25 112.5 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -81.85 148.99 28.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 72.21 110.822 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -52.36 -30.66 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.13 110.85 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.55 147.68 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 72.33 111.096 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -79.03 91.5 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 70.2 110.879 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -51.96 -30.09 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.41 -52.37 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.82 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.59 -32.6 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.54 111.151 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -40.75 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.03 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.33 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 64.42 111.073 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -75.22 -46.67 32.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 75.2 110.899 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.5 m -63.83 -43.48 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 71.3 111.121 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -37.71 76.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.849 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.68 -35.51 78.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.923 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -74.78 -40.84 60.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.828 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.47 -52.73 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.5 111.13 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.9 mt -48.47 -52.71 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.146 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.16 -23.2 76.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 43.03 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -50.71 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.388 . . . . 70.23 110.887 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 5.32 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.886 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 51.61 90.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.54 110.92 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.87 162.04 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 75.11 110.913 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -113.97 -179.01 3.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.918 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.04 -49.45 66.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 72.21 110.871 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.37 -55.02 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.864 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -57.44 -43.76 84.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.883 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -67.62 -23.76 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.78 -29.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.953 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -101.26 22.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.73 153.57 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.864 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -158.04 158.71 35.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 54.11 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.51 -34.59 90.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 55.3 112.525 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -96.65 39.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 73.14 111.126 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.36 107.95 11.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 60.34 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -54.2 105.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.36 -12.63 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.907 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.68 -46.27 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.095 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -51.53 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.9 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -50.65 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 65.14 110.901 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -78.76 -2.88 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 73.13 110.9 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 51.92 46.43 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 75.43 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -58.23 155.0 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.946 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 156.91 16.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.864 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -54.62 -26.69 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.852 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.84 -48.73 35.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.922 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -49.3 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.846 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -51.9 -48.34 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.22 -52.21 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.074 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.67 -30.34 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.914 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mt -68.26 -58.08 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.984 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.14 -38.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.75 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.855 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -61.46 -53.37 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.864 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.17 -38.29 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -57.3 -51.89 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.849 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.62 -30.44 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.912 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.47 -58.54 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 74.53 110.836 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -94.66 10.83 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 51.82 29.69 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.822 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.2 tp -75.73 155.44 35.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.948 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -103.96 94.67 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.3 110.87 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.29 142.59 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.068 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.38 -172.39 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 73.1 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -78.56 -41.81 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.13 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.98 -31.1 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.86 -45.64 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.01 110.926 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.29 -23.14 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.14 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -19.39 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 70.11 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -111.33 9.82 21.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.2 mt -122.35 90.84 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 72.14 110.899 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -117.6 -30.72 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.52 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 72.44 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.6 t -58.66 -54.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 74.34 111.167 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.84 -48.92 66.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.841 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.89 -50.36 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -59.64 -55.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 74.13 111.113 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.85 -40.4 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.24 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.41 -46.28 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.929 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -62.36 -39.29 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.971 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.8 mt -73.2 -35.96 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.45 111.125 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -46.78 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.115 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -54.54 -27.04 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.1 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -77.69 -45.86 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -53.66 -53.73 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -52.36 -51.46 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 64.32 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -79.39 64.66 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.873 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.104 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.11 0 CA-C-O 120.754 0.231 . . . . 74.43 112.378 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.4 132.95 3.09 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 71.25 112.466 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -155.38 112.26 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 72.21 110.864 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.5 mmt -90.49 -25.71 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 72.13 110.946 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.01 -177.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.141 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -61.66 95.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.2 110.846 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -52.35 -32.31 37.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 72.25 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.78 -50.94 71.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.7 -32.15 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.54 111.138 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -51.23 -40.64 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.871 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 64.42 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.19 -46.36 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.898 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.3 111.097 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.43 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.884 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.94 -36.02 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 72.54 110.894 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -74.98 -40.39 60.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.3 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.64 -52.24 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.5 111.111 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.8 mt -48.61 -52.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.178 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.12 76.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 43.03 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -51.15 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 70.23 110.903 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 5.34 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt 50.41 89.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.897 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.66 149.45 21.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 75.11 110.847 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -92.99 177.02 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.897 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -33.71 66.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.1 -54.03 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -56.58 -33.43 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -73.57 -23.63 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.877 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -88.22 -32.85 18.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.887 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -95.46 22.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 73.44 111.14 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.43 154.45 17.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.955 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.54 153.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 54.11 110.909 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.65 89.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.676 -0.773 . . . . 55.3 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -94.19 38.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 73.14 111.134 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -125.7 106.16 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 60.34 111.202 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -53.39 105.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.45 -12.34 60.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 73.3 110.949 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.83 -46.4 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.52 111.128 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -84.95 -52.06 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.53 110.913 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.36 -63.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -78.79 -2.89 41.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 51.95 44.97 29.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.912 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.97 146.67 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.907 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -85.53 155.02 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.91 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 m -54.05 -27.17 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 74.22 110.858 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.63 -43.08 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -48.58 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.858 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -51.83 -50.57 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.85 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.03 -51.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 75.11 111.139 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -31.09 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.87 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.59 -58.09 4.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.948 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.13 -38.91 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.061 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.56 -41.46 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.24 110.924 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.906 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 -37.98 87.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.942 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.23 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 75.15 110.888 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.86 -32.5 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 70.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.78 -57.38 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.855 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -95.47 11.1 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.887 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m 51.77 29.08 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.931 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.5 tp -76.47 156.29 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.09 94.49 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 65.3 110.872 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.75 132.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 75.03 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.58 158.94 19.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.834 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.75 -33.35 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.0 -34.58 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -70.47 -39.71 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 71.01 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.95 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 75.14 111.105 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.38 -19.76 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 70.11 110.94 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.71 13.0 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.882 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -120.0 111.15 17.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.402 . . . . 72.14 110.985 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.6 -48.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.52 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.5 p -82.34 155.12 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.44 111.085 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.45 -48.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.34 111.153 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -54.69 -53.68 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.847 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.22 -50.44 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.817 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.48 -55.6 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.154 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.85 -32.4 69.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.839 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -68.43 -39.12 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.827 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -71.87 -39.33 69.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.938 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -74.52 -40.22 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 75.45 111.145 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.01 79.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.32 111.139 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -54.58 -26.74 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.792 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -86.55 -57.01 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.911 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 m -93.23 43.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 70.12 110.855 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -73.49 -45.14 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.32 110.829 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.69 155.86 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 72.25 111.136 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.822 0.259 . . . . 74.43 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.19 75.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.748 -0.739 . . . . 71.25 112.444 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -146.85 142.96 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.21 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.27 -29.78 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.93 146.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.101 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -119.29 107.67 13.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 70.2 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.92 -39.31 58.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 72.25 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -50.36 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -72.64 -32.4 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.54 111.147 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -50.96 -41.1 58.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.03 110.873 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.46 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 64.42 111.172 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.11 -47.08 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.62 -43.38 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 71.3 111.116 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -37.6 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.851 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.65 -35.53 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.895 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -74.92 -40.93 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 73.3 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.42 -52.32 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.5 111.119 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mt -48.59 -53.03 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.155 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 -23.17 76.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 43.03 112.417 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -51.02 68.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.874 0.369 . . . . 70.23 110.859 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.33 6.1 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.937 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.01 90.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.971 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.47 164.27 12.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.99 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -111.09 -176.08 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 75.32 110.899 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.15 -38.88 88.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.874 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.85 -41.3 86.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 74.33 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -70.12 -23.06 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.821 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.96 -29.23 20.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.898 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.56 23.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.44 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.25 158.39 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.892 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -159.26 158.96 33.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.861 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.15 -24.07 71.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 55.3 112.506 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 p -106.49 39.04 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 73.14 111.129 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -124.51 115.83 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 60.34 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.15 105.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 71.14 110.936 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -12.96 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.3 110.917 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.91 -45.0 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.52 111.078 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -84.36 -51.68 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.53 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.36 -62.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 65.14 110.843 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -78.85 -3.03 42.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.958 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.89 38.74 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.8 mt -51.53 148.34 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.899 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.82 157.13 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.9 t -55.16 -25.88 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.835 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.03 -48.88 32.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.876 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -49.68 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.72 -47.66 63.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.885 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -52.74 -52.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.11 111.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -31.34 71.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.81 -58.3 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -59.27 -38.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.15 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 mtp -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.851 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.72 -53.46 57.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.12 110.888 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -37.68 87.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.949 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.18 -52.07 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.878 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.7 -31.03 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 70.42 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.43 -57.47 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.53 110.877 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -96.07 11.51 33.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 75.51 110.905 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.34 30.35 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.6 tp -76.6 155.57 33.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.888 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.25 94.7 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.3 110.892 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 mt -104.02 139.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 75.03 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.11 179.64 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.86 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.76 -36.56 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.13 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.3 -42.21 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.783 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.2 -32.45 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.01 110.873 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.1 62.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.14 111.105 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.19 -18.75 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.11 110.862 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.99 8.82 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.937 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.11 88.21 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.42 -37.49 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.962 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -95.84 158.4 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 72.44 111.132 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.28 -55.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.122 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.69 -42.05 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -49.65 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.802 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.4 mt -59.25 -55.71 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.13 111.148 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.71 -34.93 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.24 110.907 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -40.42 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.18 -39.65 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.939 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.1 mt -73.36 -48.33 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 75.45 111.116 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.24 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.32 111.095 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -54.67 -26.81 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.854 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -79.68 -37.38 35.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.21 110.896 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -60.96 -73.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 70.12 110.765 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 t -56.64 -74.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.32 110.813 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 102.98 4.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.837 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 72.25 111.116 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.258 . . . . 74.43 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.8 63.97 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.784 -0.722 . . . . 71.25 112.524 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -122.76 175.03 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 72.21 110.844 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.1 mmm -58.39 -30.55 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.13 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.83 149.98 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 72.33 111.159 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -86.31 99.42 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.2 110.86 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.02 -38.6 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -51.18 67.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.835 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -72.54 -32.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.54 111.156 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -40.67 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.913 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.37 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 64.42 111.086 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.3 -46.49 33.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.2 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 m -64.32 -42.83 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 71.3 111.197 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -37.56 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.87 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -68.32 -34.97 77.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.862 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -74.97 -42.59 57.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.3 110.925 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.99 -51.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.148 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.6 mt -49.45 -53.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 75.11 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.95 -23.2 76.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 43.03 112.537 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -50.26 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 70.23 110.864 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.52 5.52 31.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 75.53 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 50.91 89.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.877 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.05 164.79 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -111.15 -176.62 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.928 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.42 -40.32 90.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.903 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.62 -48.55 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.857 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -58.65 -34.05 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.91 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -74.56 -22.88 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -89.0 -30.28 18.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pp -96.55 24.15 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.117 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.43 155.08 18.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.925 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.42 159.49 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 54.11 110.831 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.75 93.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 55.3 112.514 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.2 p -94.65 38.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 73.14 111.133 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -123.55 129.35 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 60.34 111.182 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.23 104.69 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -15.28 63.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.889 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.06 -42.3 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.52 111.096 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -84.76 -52.29 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.903 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.46 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.872 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -78.88 -3.03 42.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.829 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 51.99 46.91 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.905 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.69 150.6 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 74.24 110.949 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.07 155.55 19.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.879 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 p -53.83 -27.52 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.99 -48.83 33.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 75.23 110.936 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -49.92 73.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.927 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.14 -47.77 65.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.5 t -53.31 -52.31 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.11 111.119 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.78 -31.41 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.66 -58.23 5.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.921 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 pt -59.1 -38.01 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.21 111.144 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.1 -39.2 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.897 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 t -62.81 -53.37 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.892 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.2 -51.96 67.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.52 -30.7 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.42 110.884 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.68 -56.88 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -96.38 10.8 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.91 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t 51.09 30.71 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.903 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.6 tp -76.35 155.19 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.888 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.84 94.66 5.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.928 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.59 143.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 75.03 111.103 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.49 -170.68 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.862 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -78.71 -44.75 22.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -57.46 -46.05 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 71.01 110.868 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.99 64.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 75.14 111.037 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.48 -22.62 44.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.91 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 13.9 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.885 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.2 mt -127.77 108.67 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -137.07 -41.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.52 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -88.52 157.03 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 72.44 111.141 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.8 -40.52 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.091 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.04 -55.18 24.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.798 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.02 -50.42 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.884 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.27 -55.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.13 111.083 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.09 -40.73 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.18 -50.11 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.837 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -58.56 -39.39 80.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.883 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.25 -35.89 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.45 111.142 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 -46.14 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.09 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -54.35 -27.34 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.874 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -80.3 -33.06 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -78.93 -171.68 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 70.12 110.918 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.3 p -100.65 30.49 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.867 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -55.58 144.69 25.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.926 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.25 111.117 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.256 . . . . 74.43 112.354 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.06 -59.32 10.63 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 71.25 112.454 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -58.3 170.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 72.21 110.881 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.52 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.862 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.5 t -52.01 140.59 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 72.33 111.168 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -100.65 106.13 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.2 110.891 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -52.66 -37.09 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 72.25 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.36 -50.81 72.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.946 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 mt -72.76 -32.36 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -51.4 -40.37 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.895 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 64.42 111.121 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.71 -44.98 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.96 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.0 m -65.05 -41.55 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.3 111.187 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -38.16 67.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.94 -35.92 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 72.54 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -74.98 -48.94 21.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.3 110.825 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -56.57 -50.3 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.5 111.179 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -47.97 -51.54 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 75.11 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.88 -23.2 75.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 43.03 112.506 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.8 t -63.97 -50.79 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 70.23 110.845 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.75 4.63 32.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.926 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 49.62 89.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.914 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.35 167.09 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.879 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.42 -174.73 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.915 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.48 -38.17 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.872 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.43 -46.38 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.921 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -61.87 -36.62 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.89 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.1 -23.78 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.918 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -88.44 -28.9 20.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -99.4 21.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.44 111.14 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 151.43 19.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.93 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -155.75 159.14 39.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 54.11 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.97 -36.16 92.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 55.3 112.447 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -95.15 38.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 73.14 111.149 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -126.98 105.1 8.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 60.34 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -54.62 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.21 -15.33 63.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.893 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.0 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.08 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -84.75 -47.95 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.862 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.57 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 65.14 110.862 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -78.64 -3.38 43.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.916 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 55.15 42.65 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -54.64 141.08 33.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -78.33 155.87 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.24 110.866 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -55.1 -25.9 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.88 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.02 -48.8 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -50.15 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.861 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.62 -41.52 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.9 t -57.99 -53.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 75.11 111.201 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.49 -28.25 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.849 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.16 -58.53 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.962 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.9 pt -61.1 -38.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.21 111.101 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.0 mtp -68.28 -42.72 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.833 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -59.65 -53.64 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 73.12 110.871 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.04 -38.02 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.83 -52.07 65.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 75.15 110.917 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.94 -31.49 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -57.42 -55.4 35.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 74.53 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -99.73 11.52 39.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.869 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t 51.56 29.81 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 74.45 110.87 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 tp -75.44 155.44 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -104.74 94.52 5.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 65.3 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mt -100.98 139.71 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 75.03 111.153 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -110.65 -171.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.1 -46.97 26.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.83 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.72 -32.19 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.01 -46.8 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.01 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.19 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.055 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -20.84 57.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 70.11 110.951 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -111.33 11.12 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 mt -123.55 94.47 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 72.14 110.903 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -121.09 -38.1 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.9 p -93.32 153.15 18.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.081 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.42 -52.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 74.34 111.06 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.97 -42.21 68.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.88 -50.45 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.52 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.8 -55.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.13 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.88 -39.02 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.929 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.0 -44.9 91.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.879 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -64.11 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.943 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.8 mt -74.71 -38.58 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.45 111.137 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.17 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.32 111.058 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 t -54.79 -26.56 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 73.1 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -86.88 -49.53 7.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 p -112.66 61.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 70.12 110.819 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -70.68 -26.98 63.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.855 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -113.13 -36.93 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 73.32 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.179 179.818 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 CA-C-O 120.858 0.274 . . . . 74.43 112.345 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.38 131.01 7.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 71.25 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -164.76 110.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 72.21 110.825 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.9 mtt -90.66 -24.99 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.936 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 m -53.52 173.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.33 111.106 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -53.73 107.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.868 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.3 -33.77 76.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.52 -50.42 73.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.985 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.72 -32.29 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 73.54 111.07 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.03 110.904 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.68 69.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.104 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -75.33 -45.59 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.937 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.34 -42.69 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.3 111.081 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -37.47 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -34.93 75.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.54 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 p -75.1 -41.62 58.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.786 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.78 -52.55 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.5 111.153 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.25 -52.8 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.119 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.33 -23.49 75.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 43.03 112.504 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -50.68 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 70.23 110.845 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.34 4.88 31.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.899 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt 50.46 88.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.895 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.7 155.07 18.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.886 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -101.43 -176.29 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.817 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.79 -54.34 47.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.826 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -55.39 -43.08 74.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.902 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.28 -23.05 62.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.895 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.58 -28.43 24.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.44 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.01 23.4 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -90.06 159.09 17.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.925 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.77 145.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.817 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.44 -33.14 39.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.683 -0.77 . . . . 55.3 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -94.22 39.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.14 111.131 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -128.53 104.45 7.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.161 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -53.46 105.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.96 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.1 -11.96 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.97 -46.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.051 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.53 110.926 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.61 -63.17 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 65.14 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.23 -3.93 45.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.882 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 t30 51.43 44.56 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 75.43 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.53 151.56 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.48 155.4 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.946 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -54.46 -26.52 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.881 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -72.82 -48.84 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -49.24 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.68 -46.75 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -54.14 -53.27 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.11 111.124 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.91 -29.64 70.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.893 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.21 -58.42 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.857 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -58.89 -38.4 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.145 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -68.51 -40.79 80.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.842 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.28 -53.29 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 73.12 110.814 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.57 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.86 -31.48 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.42 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.35 -57.48 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.906 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -95.72 11.01 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 75.51 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.78 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.805 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.4 155.94 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.949 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -105.24 94.65 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -102.54 134.64 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 75.03 111.148 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -112.51 160.95 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.1 110.815 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.57 -37.25 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.84 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.98 -29.29 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 75.31 110.877 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -68.48 -40.65 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 71.01 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.93 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.14 111.167 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -22.52 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.11 110.906 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.52 13.59 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -124.58 96.25 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.46 -37.65 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 73.52 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 p -93.78 157.43 16.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.123 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.1 t -57.17 -51.73 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.096 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.21 -52.13 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -56.34 -50.35 71.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.859 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.3 mt -57.22 -55.39 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.13 111.149 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.78 -34.63 69.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -66.96 -41.4 86.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.86 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.63 -39.68 80.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.907 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.45 -35.76 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 75.45 111.143 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.28 67.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.32 111.132 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -26.53 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.851 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -81.28 -39.39 25.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 71.21 110.918 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -173.06 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 70.12 110.85 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.6 p -119.02 27.14 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 64.32 110.874 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -111.0 77.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 73.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.25 111.11 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.772 0.238 . . . . 74.43 112.335 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.67 77.5 1.32 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 71.25 112.558 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -70.34 94.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 72.21 110.867 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.29 -29.99 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 72.13 110.885 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.01 135.96 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.124 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -63.01 96.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 70.2 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.3 -38.37 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 72.25 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.8 -51.68 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.2 mt -72.58 -36.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.119 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -51.62 -40.46 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.29 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.42 111.079 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.65 -44.94 39.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.95 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.13 -41.71 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 71.3 111.111 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -38.47 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.954 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.1 -35.74 80.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.886 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -74.73 -49.4 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.22 -50.63 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -47.92 -51.18 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.136 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.38 74.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 43.03 112.484 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -50.37 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 70.23 110.909 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.23 4.32 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.94 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 49.91 88.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.903 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.8 173.0 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.93 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -121.69 -179.54 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.899 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -58.06 -37.3 74.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -71.1 -47.31 58.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -60.73 -37.97 83.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.887 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -73.35 -23.91 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.937 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -87.09 -30.41 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.908 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -98.86 23.31 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.129 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.42 157.5 15.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.938 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.37 160.07 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 54.11 110.879 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.49 -36.43 93.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 55.3 112.475 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -95.43 39.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 73.14 111.157 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -121.6 106.31 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 60.34 111.194 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -55.86 103.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.2 -13.42 60.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.95 -48.77 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.52 111.108 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -84.85 -50.94 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.02 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 65.14 110.88 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -78.79 -2.8 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 54.15 38.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.902 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.44 144.65 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.943 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -83.42 155.97 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.24 110.861 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -54.48 -26.38 30.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.907 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.11 -48.77 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 75.23 110.933 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -48.96 76.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.89 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.99 -42.83 69.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.966 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 80.5 t -57.77 -53.86 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 75.11 111.097 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.22 -28.98 70.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.831 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -66.08 -58.4 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.926 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.61 -38.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 73.21 111.085 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.99 -41.72 81.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 74.24 110.887 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -61.58 -53.41 56.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 73.12 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.97 -37.23 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.947 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -58.05 -51.93 67.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.65 -29.91 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.31 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.53 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -92.79 11.05 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.51 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 t 51.51 29.87 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.901 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -76.52 156.36 32.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.946 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -105.26 94.66 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.914 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.86 137.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.03 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.0 -41.25 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.904 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.81 -50.43 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 71.01 110.821 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.75 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.14 111.091 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -21.51 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.11 110.924 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -18.05 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.86 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -84.82 96.97 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -130.06 10.83 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.89 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -139.88 149.96 44.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.179 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.8 -55.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.119 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -52.84 -47.38 67.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.899 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.27 -50.36 73.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.5 mt -56.03 -55.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.148 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.4 t -57.23 -41.45 79.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.91 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.919 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -68.73 -42.12 78.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.98 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.12 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.107 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.31 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.09 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.5 t -54.47 -27.04 34.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.814 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -81.27 -50.32 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.913 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 p -53.35 -30.11 37.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.12 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m -73.56 -34.52 65.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 64.32 110.836 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -121.65 80.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.32 110.913 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.25 111.051 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.793 0.247 . . . . 74.43 112.351 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.02 -96.03 0.56 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 71.25 112.534 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -113.95 68.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 72.21 110.879 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.1 tpt -53.83 -42.33 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.85 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -72.29 135.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 101.53 13.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.866 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -52.7 -38.83 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.833 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.35 -51.4 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.917 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -72.68 -32.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.54 111.187 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.18 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.946 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.28 68.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 64.42 111.104 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -75.69 -44.71 40.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.38 -41.51 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.3 111.208 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -38.39 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.938 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.81 -37.09 83.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.918 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -74.9 -47.42 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.85 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.63 -51.77 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.5 111.158 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.2 mt -49.0 -49.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.184 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.29 -23.35 74.03 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.03 112.492 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.7 -50.04 68.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 70.23 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.12 4.29 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 75.53 110.938 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 49.43 88.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.54 110.933 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.38 149.87 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 75.11 110.969 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.02 164.82 15.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 75.32 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.04 -38.0 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.929 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -72.12 -36.55 69.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.88 -31.34 72.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.884 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -74.96 -22.59 58.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.854 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -88.61 -31.44 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -95.27 23.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 73.44 111.143 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.68 153.51 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.983 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.04 151.47 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 54.11 110.826 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.55 85.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 55.3 112.522 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -95.62 38.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 73.14 111.104 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -128.55 107.69 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 60.34 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -53.8 105.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.882 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.46 -13.7 61.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.938 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.06 -48.32 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.52 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -85.15 -49.4 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.854 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.08 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 65.14 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -78.69 -2.62 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 52.16 60.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.968 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.1 152.79 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.1 155.69 17.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.833 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -54.92 -25.58 30.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.88 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.04 -36.31 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 75.23 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -46.29 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.894 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.25 -44.22 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.831 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.32 -52.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.36 -29.24 70.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.844 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.82 -38.7 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.131 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.58 -41.69 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.914 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -60.39 -53.72 54.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.5 -37.86 88.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.46 -51.9 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.62 -31.9 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.919 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -57.63 -56.24 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.53 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -96.73 10.94 37.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.51 110.859 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 51.86 29.16 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.796 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.2 tp -76.13 156.42 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.898 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.97 94.58 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.3 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 132.32 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 75.03 111.12 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 158.28 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 73.1 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.29 -33.51 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.856 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.908 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -70.6 -39.61 73.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 71.01 110.84 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -22.81 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.182 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -59.23 -20.89 57.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 70.11 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 13.73 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.872 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -122.09 120.51 34.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.38 -47.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.863 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.8 p -84.14 157.44 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.44 111.208 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -56.65 -51.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 74.34 111.142 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.23 -42.62 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -63.69 -50.69 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.853 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.36 -55.85 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.173 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.2 t -54.74 -40.64 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -61.73 -49.22 77.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.834 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -59.45 -39.73 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.953 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.65 -35.64 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.45 111.144 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.16 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -54.42 -27.46 37.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.893 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -76.52 -46.75 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 t -53.31 -52.61 58.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.83 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -54.99 -49.28 71.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 64.32 110.865 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.92 -45.52 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.85 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.163 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 1.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 70.200000000000003 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.01 -29.47 67.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.299999999999997 110.928 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.71 -52.29 57.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 65.319999999999993 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.4 mt -72.58 -32.41 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 72.450000000000003 111.1 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -51.32 -40.74 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.921 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.61 -31.52 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 53.200000000000003 111.094 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.19 -46.33 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.939 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.6 m -64.4 -43.06 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.299999999999997 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.27 -37.55 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.881 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -68.08 -35.42 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.540000000000006 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -74.93 -41.86 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.877 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.908 HG11 HD13 ' A' ' 37' ' ' LEU . 76.4 t -63.17 -51.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.5 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 38.4 mt -49.17 -53.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.099 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.28 76.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.453 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -49.98 72.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 65.109999999999999 110.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.63 5.19 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.409999999999997 110.925 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 50.15 88.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.540000000000006 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.97 153.14 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.922 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -101.06 175.98 5.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.319999999999993 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.15 -41.54 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.82 -54.07 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.530000000000001 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.7 mm100 -57.21 -40.96 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.878 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -70.71 -22.54 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.935 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -89.44 -21.95 22.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -109.54 22.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 63.020000000000003 111.147 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -95.8 155.01 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.938 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.12 158.74 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.109999999999999 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.12 -30.55 77.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 55.299999999999997 112.454 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 p -99.59 39.0 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.916 0.388 . . . . 73.140000000000001 111.165 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -126.39 107.82 10.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.18 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -53.67 104.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 110.902 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.908 HD13 HG11 ' A' ' 17' ' ' VAL . 15.9 mt -67.86 -12.2 60.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.299999999999997 110.932 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -46.02 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 111.142 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -85.14 -51.48 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.893 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.62 -63.22 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.55 -3.79 45.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.893 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.1 47.74 24.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.5 110.905 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 76.9 mt -58.64 150.3 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 61.350000000000001 110.937 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -84.64 154.67 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 75.239999999999995 110.849 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 49' ' ' VAL . 70.6 p -55.22 -25.99 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 110.884 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -48.53 36.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -48.83 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.881 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.75 -45.42 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.855 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -55.58 -52.22 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 111.151 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.1 mt -66.76 -58.55 4.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 73.319999999999993 110.881 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.0 pt -58.78 -38.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.49 -39.79 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.882 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -62.62 -53.49 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.8 mt -65.09 -37.44 87.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.62 -52.0 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.439999999999998 110.841 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.6 -29.47 64.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.868 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -60.78 -57.89 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.9 m-85 -95.18 10.81 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.510000000000005 110.867 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m 51.51 30.41 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.857 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.5 tp -76.26 155.54 34.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.93 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.36 94.67 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.299999999999997 110.88 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -99.87 143.61 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.123 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 m -112.32 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 62.420000000000002 110.855 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -75.67 -41.78 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.02 -32.49 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.83 -47.28 80.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -23.18 63.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.61 -24.03 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 70.109999999999999 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.57 12.84 21.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 80' ' ' TYR . 74.8 mt -121.93 97.98 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -126.08 -37.62 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 73.519999999999996 110.9 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -86.86 158.37 19.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 72.439999999999998 111.141 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.844 HG22 HD11 ' A' ' 37' ' ' LEU . 21.6 t -60.3 -53.97 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.099999999999994 111.112 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.12 -50.54 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.519999999999996 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.2 -55.75 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 62.009999999999998 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.72 -38.72 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.907 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.67 -46.73 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.505 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.0 t80 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.889 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 9' ' ' ILE . 62.3 mt -73.61 -35.73 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.450000000000003 111.138 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -68.16 -46.12 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 111.111 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -54.37 -27.05 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.849 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 70.239999999999995 110.886 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 36.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.814 0.34 . . . . 70.200000000000003 110.832 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.29 -33.93 55.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 63.299999999999997 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.54 -51.23 69.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 65.319999999999993 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.78 -32.4 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.450000000000003 111.105 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -40.44 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.914 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.46 69.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 53.200000000000003 111.138 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -75.28 -46.52 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.9 m -64.35 -42.93 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.089 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.59 74.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.829 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.31 -34.96 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -41.75 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.687 ' HA ' HD21 ' A' ' 51' ' ' LEU . 69.6 t -63.41 -51.57 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.5 111.138 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.824 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.0 mt -49.13 -52.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 62.420000000000002 111.141 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -23.22 76.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 43.030000000000001 112.452 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -50.16 71.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 65.109999999999999 110.897 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.37 4.62 31.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.929 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt 51.06 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.911 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.19 166.99 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -111.87 -170.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.319999999999993 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.57 -40.09 88.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.846 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.67 -47.84 68.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.530000000000001 110.888 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.6 mm100 -59.9 -38.34 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.885 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.7 -22.78 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -88.86 -27.72 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.85 22.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.020000000000003 111.057 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 153.2 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.875 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -155.14 159.18 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 54.109999999999999 110.833 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.59 -27.25 73.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 55.299999999999997 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -102.92 38.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 73.140000000000001 111.126 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m -125.46 107.64 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 52.310000000000002 111.154 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -54.15 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.969 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 74' ' ' VAL . 19.7 mt -66.28 -13.96 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.299999999999997 110.964 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.88 -49.05 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.111 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -84.63 -48.69 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.400000000000006 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.19 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.1 m-85 -78.92 -3.19 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.939 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m120 54.62 38.32 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 51.4 mt -51.46 147.41 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.97 156.24 21.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.941 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.5 p -55.01 -26.31 36.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 65.319999999999993 110.848 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.06 -48.8 32.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.936 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -50.19 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 110.847 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.89 -46.33 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.219999999999999 110.902 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 95.2 t -56.08 -54.64 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 75.109999999999999 111.087 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.97 -29.06 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.8 mt -68.61 -58.14 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.319999999999993 110.992 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.5 pt -59.88 -36.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.136 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.7 mtp -69.07 -41.61 77.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.815 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -62.27 -50.49 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.85 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -67.11 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.97 -51.97 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 62.439999999999998 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -71.7 -31.23 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.420000000000002 110.88 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -59.21 -56.32 23.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 74.530000000000001 110.837 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.3 m-85 -96.68 10.34 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p 51.66 29.54 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 74.450000000000003 110.898 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.5 tp -75.39 155.22 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.944 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -103.86 94.58 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.299999999999997 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.86 138.7 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 50.350000000000001 111.114 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -108.98 -171.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.842 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.94 -37.59 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -74.87 -39.84 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -52.75 -49.79 64.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.9 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -20.61 57.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 70.109999999999999 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.92 -21.8 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.450000000000003 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 77' ' ' ILE . 65.1 mt -80.93 92.64 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 61.299999999999997 110.923 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 73' ' ' THR . 8.8 pt-20 -118.36 -30.1 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 72' ' ' GLU . 37.3 p -102.84 151.25 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 72.439999999999998 111.094 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 37' ' ' LEU . 34.0 t -53.49 -51.0 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 111.126 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -52.64 -42.73 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -65.87 -46.85 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.565 ' HA ' HD22 ' A' ' 71' ' ' LEU . 52.4 mt -60.74 -55.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 62.009999999999998 111.07 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.5 t -58.25 -40.36 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -63.32 -39.97 96.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.3 t80 -69.18 -38.31 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.968 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.513 HG22 HD13 ' A' ' 9' ' ' ILE . 82.9 mt -73.53 -40.19 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.77 -47.32 72.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.114 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -54.43 -27.11 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 32.2 mmtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.902 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.3 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.895 0.379 . . . . 70.200000000000003 110.821 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -52.41 -29.67 25.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.299999999999997 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.45 -52.74 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 65.319999999999993 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.783 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.0 mt -72.66 -33.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 72.450000000000003 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -51.57 -40.89 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.030000000000001 110.846 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.55 -31.3 69.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 53.200000000000003 111.1 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.13 -46.78 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 75.200000000000003 110.891 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.6 m -63.92 -43.56 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 71.299999999999997 111.085 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.71 -37.57 76.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.864 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.77 -35.66 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 72.540000000000006 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -74.76 -40.43 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.896 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 37' ' ' LEU . 78.9 t -63.63 -52.76 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 75.5 111.101 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.836 ' HA ' HD23 ' A' ' 23' ' ' LEU . 31.6 mt -48.32 -52.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.154 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.14 -23.27 76.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 43.030000000000001 112.489 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.95 -50.88 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 65.109999999999999 110.852 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.46 5.63 31.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.971 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 50.88 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.28 160.97 14.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.09 -178.16 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.865 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.02 -42.17 84.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.846 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.13 -54.09 39.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.74 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -56.73 -37.73 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.329999999999998 110.886 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -74.59 -23.79 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.968 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.32 -21.4 24.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.902 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -108.4 22.6 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 63.020000000000003 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -96.05 158.92 15.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.948 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.465 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -161.1 159.93 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 54.109999999999999 110.862 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.46 70.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 55.299999999999997 112.49 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 p -108.19 39.23 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 73.140000000000001 111.204 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 110.29 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.31 105.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.995 HD11 HG22 ' A' ' 74' ' ' VAL . 0.5 OUTLIER -66.99 -13.41 61.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.913 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.85 -45.1 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.04 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -52.86 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -50.5 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 63.340000000000003 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -78.73 -2.83 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.864 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.9 40.02 27.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 21' ' ' LEU . 42.7 mt -51.34 156.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.905 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -98.14 157.66 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 110.943 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 31.9 p -55.66 -25.15 37.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.319999999999993 110.831 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.92 -36.5 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -47.06 26.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.906 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -51.85 -46.57 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.219999999999999 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' SER . 72.5 t -54.75 -54.86 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 75.109999999999999 111.116 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.7 -32.2 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 71.129999999999995 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.2 mt -66.49 -58.09 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.319999999999993 110.946 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.04 -37.09 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 111.17 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.04 -42.36 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.9 p -62.52 -51.47 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 73.120000000000005 110.89 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -64.64 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 75.25 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD12 ' A' ' 63' ' ' ILE . 28.3 tt0 -59.19 -51.99 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.439999999999998 110.932 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.68 -27.74 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 70.420000000000002 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -62.51 -57.0 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 110.926 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.783 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.8 m-85 -95.43 11.07 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t 51.64 29.37 5.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.867 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -75.18 155.02 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 74.25 110.951 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.33 94.37 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 65.299999999999997 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 56' ' ' GLU . 64.2 mt -98.3 141.34 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 50.350000000000001 111.114 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 m -110.82 -171.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 62.420000000000002 110.852 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -77.87 -45.59 23.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.843 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.62 -30.91 61.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.77 -46.69 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 63.039999999999999 110.886 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -23.03 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 111.083 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.83 -20.2 55.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 70.109999999999999 110.944 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -111.46 10.25 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 80' ' ' TYR . 62.9 mt -122.24 95.3 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 61.299999999999997 110.899 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -123.61 -41.96 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -84.2 163.48 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 111.08 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.995 HG22 HD11 ' A' ' 37' ' ' LEU . 84.7 t -61.89 -55.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 71.099999999999994 111.134 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -54.39 -45.27 72.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.833 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.98 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.905 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.9 mt -61.67 -55.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 62.009999999999998 111.158 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.45 -37.04 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.239999999999995 110.895 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -64.99 -49.11 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.614 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.7 t80 -60.41 -38.44 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.486 HG22 HD13 ' A' ' 9' ' ' ILE . 66.4 mt -74.56 -35.95 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.450000000000003 111.106 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.54 -45.51 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 111.069 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -54.44 -26.79 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 54.130000000000003 110.906 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' A' ' 61' ' ' LEU . 22.7 mmtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.929 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.768 0.318 . . . . 70.200000000000003 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -58.67 -30.95 67.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 63.299999999999997 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.82 -52.6 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 65.319999999999993 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.54 -32.31 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 111.117 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.05 -40.6 58.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.886 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.82 -31.56 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.200000000000003 111.146 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.1 -46.28 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.200000000000003 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.7 m -64.69 -43.2 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.299999999999997 111.108 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.0 -37.47 75.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.845 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -68.36 -35.68 78.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.926 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -74.87 -40.89 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.299999999999997 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.878 HG11 HD13 ' A' ' 37' ' ' LEU . 74.2 t -63.71 -53.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 75.5 111.123 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 mt -48.19 -52.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.161 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.31 -23.16 76.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 43.030000000000001 112.485 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.05 -51.15 67.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 65.109999999999999 110.905 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.2 5.23 32.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 53.409999999999997 110.894 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 50.12 89.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.913 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.835 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -92.43 149.47 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 110.922 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -95.94 -179.66 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -49.36 70.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.899 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.22 -54.53 44.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.717 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.2 mm100 -54.46 -46.95 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -67.58 -22.63 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.882 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.99 -19.39 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -113.98 21.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 63.020000000000003 111.167 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.73 154.93 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 64.140000000000001 110.878 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.03 159.38 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 54.109999999999999 110.824 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.68 -30.67 76.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 55.299999999999997 112.503 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -100.08 38.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 73.140000000000001 111.157 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.02 107.55 10.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 52.310000000000002 111.151 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -53.66 103.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 110.844 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.878 HD13 HG11 ' A' ' 17' ' ' VAL . 18.5 mt -67.8 -12.25 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 73.299999999999997 110.948 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.22 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.519999999999996 111.083 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -85.1 -52.38 5.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -50.12 -63.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' HE2' HD22 ' A' ' 37' ' ' LEU . 38.3 m-85 -78.67 -2.98 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.57 47.5 24.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 74.5 110.893 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 HD13 ' A' ' 21' ' ' LEU . 31.7 mt -58.8 143.99 45.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 61.350000000000001 110.912 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.66 155.26 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.839 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 p -55.14 -26.04 35.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.857 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -72.73 -40.88 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.929 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -48.14 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 110.844 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.92 -49.09 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.892 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 45' ' ' SER . 98.6 t -52.95 -51.46 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -30.92 71.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.129999999999995 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.55 -58.24 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.967 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.66 -38.55 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 111.179 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.57 -41.33 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.892 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 t -60.1 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.120000000000005 110.786 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.68 -37.82 87.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -56.29 -52.21 65.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 62.439999999999998 110.86 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -71.82 -31.99 67.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.420000000000002 110.907 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -57.14 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.530000000000001 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.8 m-85 -98.44 11.52 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.510000000000005 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t 51.58 29.46 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 74.450000000000003 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.6 tp -75.29 155.76 36.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.73 94.63 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.299999999999997 110.835 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 mt -103.07 137.48 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 50.350000000000001 111.186 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -112.42 159.25 18.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 62.420000000000002 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -51.86 -32.7 33.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -44.77 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.310000000000002 110.867 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -55.59 -39.98 71.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -23.19 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.39 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 70.109999999999999 110.898 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -110.72 3.71 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -112.94 112.27 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.299999999999997 110.868 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -137.43 -42.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.9 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 p -87.77 159.49 18.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.12 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 37' ' ' LEU . 21.5 t -59.36 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 71.099999999999994 111.12 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -52.64 -49.25 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 70.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -56.54 -50.44 71.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.57 -55.78 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.009999999999998 111.115 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.2 t -55.66 -37.99 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.239999999999995 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.12 -45.95 86.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' HD21 ' A' ' 61' ' ' LEU . 38.7 t80 -62.59 -39.66 94.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.926 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG22 HD13 ' A' ' 9' ' ' ILE . 81.5 mt -73.94 -35.77 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.450000000000003 111.147 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.77 81.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t -54.37 -26.79 32.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 54.130000000000003 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.8 mmtt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.912 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 2.2 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.813 0.339 . . . . 70.200000000000003 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -54.36 -30.25 51.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.822 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.42 -52.74 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.477 . . . . 65.319999999999993 110.924 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.57 -32.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.450000000000003 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -51.66 -40.48 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.030000000000001 110.935 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.41 69.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 53.200000000000003 111.145 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.29 -46.17 35.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.815 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.1 m -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 71.299999999999997 111.204 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.01 -37.78 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.891 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.26 -34.97 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 72.540000000000006 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 p -74.83 -40.77 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 110.802 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 37' ' ' LEU . 75.1 t -63.8 -53.0 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.5 111.14 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.82 ' HA ' HD23 ' A' ' 23' ' ' LEU . 60.6 mt -48.6 -52.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 62.420000000000002 111.118 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.38 -23.07 76.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.756 . . . . 43.030000000000001 112.536 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.4 -50.25 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 65.109999999999999 110.923 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.919 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 4.85 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 53.409999999999997 110.887 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 51.8 91.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -96.58 165.67 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.926 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -115.43 172.78 6.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.876 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -55.03 -25.95 33.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 64.319999999999993 110.934 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.8 -43.65 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 64.530000000000001 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CB ' HD12 ' A' ' 23' ' ' LEU . 2.2 mp0 -71.29 -25.27 62.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -75.63 -44.89 40.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 73.129999999999995 110.821 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.566 ' HG3' HG23 ' A' ' 30' ' ' ILE . 3.8 pt20 -65.95 -23.23 66.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.925 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 29' ' ' GLN . 2.1 pp -105.87 19.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.020000000000003 111.13 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 148.35 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 64.140000000000001 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -155.98 159.33 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 54.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.96 92.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 55.299999999999997 112.433 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -93.95 39.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 73.140000000000001 111.103 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -124.88 105.34 9.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 52.310000000000002 111.119 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -53.58 105.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 110.919 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.913 HD11 HG22 ' A' ' 74' ' ' VAL . 7.2 mt -66.97 -13.02 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.904 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.66 -47.36 12.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.519999999999996 111.113 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -84.9 -50.84 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.65 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 63.340000000000003 110.884 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -78.75 -2.87 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.909 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 53.51 39.86 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 74.5 110.818 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 21' ' ' LEU . 45.4 mt -52.5 155.07 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 61.350000000000001 110.901 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 157.94 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.88 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 18.0 m -55.23 -26.17 37.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 65.319999999999993 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.93 -48.65 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 75.230000000000004 110.948 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -49.11 78.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.826 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -51.79 -48.34 63.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -54.58 -52.04 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.109999999999999 111.105 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.47 -30.14 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.898 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.681 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.51 -58.18 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -38.29 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 111.143 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.66 -41.0 79.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.85 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.23 -53.28 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.918 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD1' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.35 -37.92 88.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.865 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -57.18 -52.13 66.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 110.843 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.54 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 70.420000000000002 110.852 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.83 -57.6 12.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.7 m-85 -95.39 11.12 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 110.851 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.54 29.85 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 110.842 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.515 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.1 tp -76.2 155.83 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.25 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -104.87 94.61 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 65.299999999999997 110.849 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.03 137.97 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 50.350000000000001 111.219 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -111.98 171.95 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 62.420000000000002 110.837 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.05 -39.9 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.129999999999995 110.909 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.95 -33.96 62.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.921 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.12 -48.11 76.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 63.039999999999999 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.02 64.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.44 -24.11 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.109999999999999 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -111.52 13.46 21.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.9 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 80' ' ' TYR . 81.4 mt -122.88 99.16 6.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 61.299999999999997 110.985 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -123.44 -37.73 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -93.08 153.31 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.439999999999998 111.144 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 37' ' ' LEU . 39.0 t -52.61 -52.13 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.087 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -52.92 -40.85 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 70.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -48.96 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.39 -55.02 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.185 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.4 t -55.63 -43.31 76.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.846 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -61.48 -45.92 92.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.0 t80 -62.1 -38.26 88.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.889 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.516 HG22 HD13 ' A' ' 9' ' ' ILE . 80.5 mt -74.67 -35.82 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 111.119 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -65.44 -45.71 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.319999999999993 111.111 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -54.45 -26.62 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 110.83 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HD11 ' A' ' 61' ' ' LEU . 19.9 mmtm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 70.239999999999995 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.855 0.359 . . . . 70.200000000000003 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -30.15 63.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 63.299999999999997 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.16 -51.93 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.2 mt -72.4 -32.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 72.450000000000003 111.19 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -39.62 63.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.899 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.79 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 53.200000000000003 111.137 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.51 -45.92 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 110.84 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.7 m -64.33 -42.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.299999999999997 111.098 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.54 -37.62 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.923 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -67.97 -35.43 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.540000000000006 110.903 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -75.1 -40.74 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.299999999999997 110.882 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 37' ' ' LEU . 68.9 t -63.29 -51.39 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 75.5 111.105 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.5 mt -49.38 -52.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 62.420000000000002 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.49 -23.03 76.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 43.030000000000001 112.536 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -50.5 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 65.109999999999999 110.832 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.94 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.35 3.79 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.938 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mttm 52.91 92.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.897 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -98.67 168.29 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 110.898 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.6 -179.35 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.319999999999993 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.38 -31.84 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.12 -55.5 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 64.530000000000001 110.873 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.744 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.5 -35.06 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.956 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -73.19 -22.75 60.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -88.98 -28.27 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.945 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -100.95 22.56 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 63.020000000000003 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 153.86 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 110.926 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.52 146.13 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 54.109999999999999 110.861 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.22 -30.41 61.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 55.299999999999997 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -98.14 38.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 111.163 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -127.85 108.93 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 52.310000000000002 111.157 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.12 104.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 71.140000000000001 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.897 HD11 HG22 ' A' ' 74' ' ' VAL . 19.1 mt -66.13 -13.49 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 73.299999999999997 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 -49.35 12.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.519999999999996 111.138 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -85.32 -49.91 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.400000000000006 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.56 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 63.340000000000003 110.897 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HE2' HD22 ' A' ' 37' ' ' LEU . 24.7 m-85 -78.6 -2.76 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.844 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.95 42.97 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.852 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.94 HD21 HD13 ' A' ' 21' ' ' LEU . 45.7 mt -56.96 151.32 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.973 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.06 154.37 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 28.5 p -53.52 -27.1 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.319999999999993 110.843 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.8 -48.68 36.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.230000000000004 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -49.26 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.909 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.06 -45.07 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.865 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 91.0 t -55.54 -55.75 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.126 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -59.77 -30.61 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.8 mt -66.45 -57.98 6.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.1 pt -62.62 -37.09 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.094 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtp -68.0 -41.75 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.863 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -63.42 -52.02 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.89 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CD2' HG12 ' A' ' 13' ' ' VAL . 9.2 mt -62.28 -41.93 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.25 110.973 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.746 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -57.68 -52.22 66.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.439999999999998 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.15 -22.69 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.420000000000002 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -67.51 -55.58 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 76.3 m-85 -92.99 16.21 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.510000000000005 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 52.07 26.58 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.450000000000003 110.878 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.99 165.82 24.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.867 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 93.93 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 110.874 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 56' ' ' GLU . 63.3 mt -99.87 138.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 50.350000000000001 111.17 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.02 -172.8 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.84 -39.35 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.867 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.34 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.13 -36.17 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 63.039999999999999 110.929 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -23.14 62.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.062 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.61 -18.36 59.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 70.109999999999999 110.954 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -111.64 12.01 21.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 77' ' ' ILE . 44.2 mt -122.56 111.12 16.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 61.299999999999997 110.914 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.87 -46.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.519999999999996 110.92 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 p -91.8 159.6 15.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.439999999999998 111.17 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 HD11 ' A' ' 37' ' ' LEU . 25.3 t -58.21 -53.24 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.099999999999994 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.77 -47.25 67.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -58.91 -48.18 82.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.838 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.631 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.4 mt -59.24 -55.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 62.009999999999998 111.181 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.2 t -54.89 -37.46 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.861 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -46.69 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.904 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CB ' HD21 ' A' ' 71' ' ' LEU . 31.5 t80 -61.81 -39.34 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.902 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.668 HG22 HD13 ' A' ' 9' ' ' ILE . 79.6 mt -74.75 -36.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.94 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.134 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -54.44 -26.53 31.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 54.130000000000003 110.828 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.917 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.793 0.33 . . . . 70.200000000000003 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.61 -35.4 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 63.299999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -60.83 -51.27 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 65.319999999999993 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.8 -32.48 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.075 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -40.26 60.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.922 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.86 -31.72 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 53.200000000000003 111.141 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.44 -45.35 39.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.864 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.9 m -66.03 -41.98 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 111.125 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -71.01 -37.45 72.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.901 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.540000000000006 110.875 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 p -74.96 -42.34 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.299999999999997 110.908 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.691 ' HA ' HD21 ' A' ' 51' ' ' LEU . 61.0 t -63.51 -53.24 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 75.5 111.064 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.832 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.5 mt -48.34 -52.4 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.144 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.21 76.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 43.030000000000001 112.482 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.66 -50.9 67.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 65.109999999999999 110.921 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.59 6.44 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 53.409999999999997 110.881 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt 50.05 89.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -92.86 154.87 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.919 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -96.84 -169.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.935 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.17 -50.51 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 110.809 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -61.3 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 64.530000000000001 110.913 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -57.71 -40.37 79.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 110.917 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -72.75 -22.57 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.91 -24.9 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.439999999999998 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.1 pp -101.84 23.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.020000000000003 111.079 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -100.04 149.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -161.21 159.75 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.109999999999999 110.82 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.66 -16.8 61.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 55.299999999999997 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.5 p -111.46 38.96 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 73.140000000000001 111.107 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -129.44 114.42 16.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 52.310000000000002 111.109 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -59.82 106.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 71.140000000000001 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 74' ' ' VAL . 3.2 mp -67.41 -15.1 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.936 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.02 -44.25 12.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.519999999999996 111.085 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.884 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.75 -61.96 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 63.340000000000003 110.857 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -79.05 -2.79 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.888 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.9 t30 51.83 44.09 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.5 110.859 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.081 HD21 HD13 ' A' ' 21' ' ' LEU . 84.8 mt -57.99 153.66 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.350000000000001 110.968 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 156.39 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.882 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.658 ' O ' HG23 ' A' ' 49' ' ' VAL . 14.8 t -54.52 -26.36 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.84 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.86 -44.35 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.230000000000004 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -49.41 71.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.1 -50.19 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 74.219999999999999 110.819 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 45' ' ' SER . 70.9 t -52.47 -51.94 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.109999999999999 111.113 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.54 -31.17 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 71.129999999999995 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.1 mt -68.08 -58.23 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.915 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.45 -38.42 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.179 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.06 -40.08 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.84 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -61.56 -53.42 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.904 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.3 mt -66.07 -38.0 87.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.905 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.07 -51.88 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 62.439999999999998 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.59 -32.26 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 70.420000000000002 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -57.71 -55.65 32.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -97.64 10.48 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.510000000000005 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.57 30.11 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.450000000000003 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.76 155.52 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 74.25 110.932 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -102.55 94.66 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.299999999999997 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -102.41 142.67 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.350000000000001 111.119 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -112.05 -170.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.420000000000002 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.38 -44.12 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.848 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.88 -27.06 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.07 -43.09 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 63.039999999999999 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.83 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 111.05 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.98 45.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 70.109999999999999 110.905 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 13.74 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.908 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.0 mt -127.85 88.76 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 61.299999999999997 110.837 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -118.31 -30.38 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.519999999999996 110.839 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -99.22 160.95 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 111.166 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.79 HG23 HD11 ' A' ' 37' ' ' LEU . 95.5 t -58.86 -45.69 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.432 . . . . 71.099999999999994 111.127 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -60.21 -48.71 80.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.87 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.454 ' HA ' HD22 ' A' ' 71' ' ' LEU . 37.8 mt -60.64 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.009999999999998 111.159 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.8 t -56.39 -40.47 74.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -62.66 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 72.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.625 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.0 t80 -65.43 -38.75 90.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.892 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.456 ' CG2' HG21 ' A' ' 9' ' ' ILE . 78.1 mt -73.88 -35.95 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.450000000000003 111.107 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.74 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 111.096 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -54.38 -27.17 34.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 54.130000000000003 110.888 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HG3' HD11 ' A' ' 61' ' ' LEU . 30.6 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 70.239999999999995 110.939 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.507 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.6 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.799 0.333 . . . . 70.200000000000003 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.49 -33.76 74.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 63.299999999999997 110.838 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.11 -49.98 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 65.319999999999993 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.79 -32.32 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 72.450000000000003 111.168 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -51.77 -40.71 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.913 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.52 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 111.093 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.43 -45.89 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 110.913 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.9 m -65.04 -42.78 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 111.16 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.45 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.120000000000005 110.902 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.47 -35.18 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -74.9 -41.89 58.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 37' ' ' LEU . 71.3 t -63.29 -51.32 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.2 mt -49.35 -53.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 62.420000000000002 111.076 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.19 76.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 43.030000000000001 112.536 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -50.21 71.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 65.109999999999999 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 4.71 30.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 110.886 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mttt 51.25 90.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.540000000000006 110.921 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.52 157.64 15.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 71.340000000000003 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -100.71 -175.41 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.21 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.868 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.21 -53.95 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.530000000000001 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -53.36 -41.03 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.917 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -72.73 -24.11 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -87.36 -15.75 36.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.943 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -115.05 22.6 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 63.020000000000003 111.141 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.67 155.32 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.140000000000001 110.953 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.41 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.3 t -157.1 159.14 37.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 54.109999999999999 110.861 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.11 86.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 55.299999999999997 112.51 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -98.19 39.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 73.140000000000001 111.169 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.2 m -126.3 108.42 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 52.310000000000002 111.162 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -55.85 105.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 74' ' ' VAL . 6.8 mt -67.69 -12.44 60.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.931 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.52 -45.19 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.519999999999996 111.085 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -85.32 -51.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 110.935 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -51.22 -63.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.816 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.39 -3.4 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 73.129999999999995 110.859 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 51.6 62.81 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 48.3 mt -72.97 155.42 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 61.350000000000001 110.952 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.07 154.92 18.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.942 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -53.13 -28.35 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 65.319999999999993 110.836 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 mt -72.78 -48.77 35.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.91 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.33 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.896 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.65 -47.66 63.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 45' ' ' SER . 85.3 t -52.11 -52.52 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 111.099 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.3 -31.77 72.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 110.887 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.3 mt -66.41 -58.25 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -58.82 -38.7 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 111.165 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.6 -41.88 78.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.952 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -60.0 -53.53 56.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 73.120000000000005 110.866 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.1 mt -65.2 -38.51 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.75 -52.22 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 62.439999999999998 110.873 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.94 -31.18 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -57.67 -54.71 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.861 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.3 m-85 -100.11 11.47 39.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.425 . . . . 75.510000000000005 110.87 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.65 29.61 5.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 110.902 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.9 tp -75.6 155.72 35.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -104.81 94.59 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 65.299999999999997 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mt -101.62 141.26 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 50.350000000000001 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -112.44 -170.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 110.814 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.55 -42.51 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.129999999999995 110.896 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.54 -31.92 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -57.84 -46.55 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 63.039999999999999 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.26 -22.11 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -24.84 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 70.109999999999999 110.889 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 10.83 20.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 74.450000000000003 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 80' ' ' TYR . 69.4 mt -118.97 96.34 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 61.299999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.12 -37.91 2.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.862 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.5 p -90.54 159.01 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.878 HG22 HD11 ' A' ' 37' ' ' LEU . 98.0 t -58.8 -50.23 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 111.07 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.32 -45.52 80.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 70.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.66 -50.49 70.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.811 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HA ' HD22 ' A' ' 71' ' ' LEU . 28.5 mt -59.73 -55.73 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 111.202 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -57.65 -34.22 69.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.928 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -67.71 -42.28 82.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.666 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.7 t80 -67.89 -38.29 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.93 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 64.4 mt -74.73 -44.03 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.450000000000003 111.223 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -61.81 -46.51 89.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.168 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -26.73 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 54.130000000000003 110.844 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 70.239999999999995 110.94 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.4 m . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.777 0.322 . . . . 70.200000000000003 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -52.09 -29.96 23.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 63.299999999999997 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.3 -52.59 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.319999999999993 110.905 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.781 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.71 -33.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 111.098 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -52.4 -40.01 61.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.08 -31.38 68.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 53.200000000000003 111.043 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.69 -44.72 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.200000000000003 110.923 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.4 m -65.32 -41.71 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.299999999999997 111.191 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.34 -38.43 68.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 73.120000000000005 110.894 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.03 -36.19 81.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 72.540000000000006 110.855 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -74.02 -49.28 25.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.846 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 HD22 ' A' ' 51' ' ' LEU . 72.3 t -56.46 -51.01 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.5 111.069 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.818 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.8 mt -47.88 -50.22 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 62.420000000000002 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.38 73.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.711 . . . . 43.030000000000001 112.487 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -64.52 -49.82 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 65.109999999999999 110.891 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.899 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.57 3.1 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.409999999999997 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 89.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.87 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -90.65 166.69 13.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.948 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -112.37 -171.63 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -34.3 77.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.833 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.12 -49.44 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 64.530000000000001 110.825 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 23' ' ' LEU . 7.3 mm100 -59.42 -43.71 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 74.329999999999998 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.02 -24.38 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.39 -29.12 23.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.439999999999998 110.969 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.31 20.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.194 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.7 154.67 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 110.869 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.439 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.6 158.17 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.58 -31.01 78.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 55.299999999999997 112.511 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 p -99.6 38.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 73.140000000000001 111.118 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -125.42 106.5 9.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 52.310000000000002 111.165 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -53.8 104.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.140000000000001 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 74' ' ' VAL . 19.6 mt -67.12 -12.86 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 73.299999999999997 110.914 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.25 -47.61 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.109 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -50.79 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -64.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 63.340000000000003 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' HE2' HD22 ' A' ' 37' ' ' LEU . 34.3 m-85 -78.82 -2.49 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 110.873 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 t30 52.37 43.27 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 21' ' ' LEU . 36.9 mt -54.9 146.63 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 61.350000000000001 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.17 155.85 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 75.239999999999995 110.879 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.9 p -54.9 -26.84 38.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.906 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 mt -72.88 -48.79 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -48.85 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 110.878 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -53.43 -41.91 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.861 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 45' ' ' SER . 98.3 t -58.06 -54.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.128 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.16 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.891 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.721 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.07 -58.59 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.919 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -61.18 -38.87 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.122 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 mtp -68.13 -40.9 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.901 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -61.63 -52.66 63.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 73.120000000000005 110.84 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.3 mt -66.67 -37.06 83.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.933 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -57.89 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.439999999999998 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.44 -32.66 68.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -58.03 -59.79 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.530000000000001 110.85 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.7 m-85 -93.32 10.34 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 75.510000000000005 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.76 29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.450000000000003 110.905 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.51 HD21 ' CE1' ' A' ' 80' ' ' TYR . 59.2 tp -75.04 156.42 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 74.25 110.917 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.78 94.61 5.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 65.299999999999997 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.54 142.32 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 50.350000000000001 111.156 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -111.09 -171.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 110.871 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.87 -37.07 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.869 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -74.91 -40.41 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -53.35 -48.5 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 63.039999999999999 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.79 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 111.096 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -21.31 54.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.904 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -18.04 13.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 77' ' ' ILE . 79.1 mt -86.45 94.03 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 61.299999999999997 110.904 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 73' ' ' THR . 10.4 pt-20 -119.8 -33.08 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.955 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 72' ' ' GLU . 39.5 p -96.39 153.94 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 111.116 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.894 HG22 HD11 ' A' ' 37' ' ' LEU . 26.3 t -55.47 -51.95 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 71.099999999999994 111.08 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -52.75 -49.78 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.73 -49.5 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.3 mt -59.43 -55.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.009999999999998 111.106 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.23 -43.46 78.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.879 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.96 -42.86 95.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.51 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.4 t80 -64.94 -40.8 95.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 110.967 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 9' ' ' ILE . 83.6 mt -71.49 -35.82 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 75.450000000000003 111.146 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -69.42 -46.6 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 74.319999999999993 111.097 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -54.28 -26.78 31.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 54.130000000000003 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HG3' HD11 ' A' ' 61' ' ' LEU . 23.0 mmtm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 70.239999999999995 110.895 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 70.200000000000003 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.17 -34.05 73.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 63.299999999999997 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.42 -51.32 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.863 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.806 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.66 -32.13 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.450000000000003 111.101 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -51.21 -40.57 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.74 -31.79 69.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 53.200000000000003 111.107 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -75.3 -45.55 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.6 m -65.79 -42.21 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.299999999999997 111.167 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.454 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -70.83 -37.2 73.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 110.877 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.56 -35.15 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.540000000000006 110.868 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -75.0 -42.15 58.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.82 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.698 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.0 t -63.86 -51.62 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.075 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.1 mt -49.45 -52.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.19 75.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.722 . . . . 43.030000000000001 112.455 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -50.58 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 65.109999999999999 110.905 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.42 5.04 31.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.933 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.01 91.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 110.957 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -97.33 169.4 9.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -115.97 -175.09 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.924 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.05 -35.74 81.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.848 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.63 -48.0 43.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.908 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' LEU . 40.2 mm-40 -58.74 -34.32 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.329999999999998 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -74.8 -22.54 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.09 -30.39 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 pp -93.66 18.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 63.020000000000003 111.162 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -96.86 155.69 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.140000000000001 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.609 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.08 159.68 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.109999999999999 110.839 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.36 -19.06 63.91 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 55.299999999999997 112.546 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.3 p -113.73 38.98 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 73.140000000000001 111.124 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -123.49 110.7 15.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 52.310000000000002 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -55.35 104.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 74' ' ' VAL . 2.8 mp -67.98 -14.63 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.299999999999997 110.925 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.21 -44.25 14.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.099 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -84.59 -51.7 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.400000000000006 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.28 -63.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.86 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -78.77 -3.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.951 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t30 52.7 46.52 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.5 110.868 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 81.0 mt -60.24 154.17 20.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 110.882 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.89 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.7 t -53.42 -27.76 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 65.319999999999993 110.838 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.21 -49.09 29.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.955 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -50.15 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.875 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.54 -49.1 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 87.9 t -53.15 -51.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 111.13 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -31.3 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.848 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.4 mt -67.63 -58.4 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.956 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 pt -58.25 -38.31 67.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 111.167 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -69.44 -39.66 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.86 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 t -61.34 -53.7 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -66.21 -38.84 88.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.858 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.17 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 62.439999999999998 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.84 -31.84 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.420000000000002 110.848 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -57.17 -55.24 37.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 110.87 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.806 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.4 m-85 -99.36 11.28 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.817 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t 51.58 29.59 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.86 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 84' ' ' LYS . 64.3 tp -75.41 155.63 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -103.78 94.56 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 65.299999999999997 110.897 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.95 139.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 50.350000000000001 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -112.49 -171.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.67 -35.2 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.859 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.0 -41.62 59.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -55.72 -53.05 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 110.853 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.16 -22.63 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 111.099 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -20.43 50.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 70.109999999999999 110.869 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -17.61 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 110.892 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 77' ' ' ILE . 93.2 mt -86.14 92.11 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' OE1' HG23 ' A' ' 73' ' ' THR . 2.4 pp20? -122.65 -4.89 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.519999999999996 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.531 HG23 ' OE1' ' A' ' 72' ' ' GLU . 1.4 p -123.2 154.81 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.147 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 37' ' ' LEU . 95.4 t -55.77 -54.33 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 71.099999999999994 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.75 -46.31 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.64 -50.45 72.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 110.879 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.699 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.0 mt -58.43 -55.82 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 111.088 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.8 t -58.07 -42.84 86.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.472 . . . . 72.239999999999995 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -59.78 -39.4 84.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.544 ' HB2' HD21 ' A' ' 71' ' ' LEU . 35.7 t80 -69.05 -41.35 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.955 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 9' ' ' ILE . 77.3 mt -70.52 -36.91 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 75.450000000000003 111.134 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.06 69.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 74.319999999999993 111.074 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.3 t -54.65 -26.71 34.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 54.130000000000003 110.796 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG3' HD11 ' A' ' 61' ' ' LEU . 56.0 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 70.239999999999995 110.902 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.886 0.374 . . . . 70.200000000000003 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.49 -33.7 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.299999999999997 110.798 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.04 -51.42 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.846 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.4 mt -72.75 -32.19 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.097 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -51.76 -40.17 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.07 -31.69 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 53.200000000000003 111.056 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.43 -45.06 41.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 110.869 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.0 m -66.15 -42.08 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.299999999999997 111.155 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.418 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -71.02 -37.39 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 73.120000000000005 110.89 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.874 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 t -74.92 -41.94 58.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.958 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.69 ' HA ' HD21 ' A' ' 51' ' ' LEU . 64.2 t -63.87 -52.75 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 75.5 111.145 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 49.2 mt -48.83 -51.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.2 75.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 43.030000000000001 112.555 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -64.16 -50.63 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 65.109999999999999 110.843 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.994 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.82 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 53.409999999999997 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 52.79 92.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.540000000000006 110.881 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -99.46 175.0 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 71.340000000000003 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -118.47 -176.34 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.319999999999993 110.887 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.78 -33.36 75.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 64.319999999999993 110.838 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.29 -49.73 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 64.530000000000001 110.896 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 23' ' ' LEU . 11.0 mm100 -54.11 -27.78 35.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.329999999999998 110.917 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -74.76 -32.02 61.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 73.129999999999995 110.866 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.64 -51.0 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 72.439999999999998 110.879 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.86 -27.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.020000000000003 111.152 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 12.4 tp -52.19 158.97 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 64.140000000000001 110.865 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.24 159.54 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 54.109999999999999 110.879 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.76 -13.71 59.51 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 55.299999999999997 112.519 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.9 p -121.07 38.73 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.140000000000001 111.151 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -125.36 108.8 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 52.310000000000002 111.096 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.48 105.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD11 HG23 ' A' ' 74' ' ' VAL . 4.0 mp -68.1 -14.91 63.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 -44.42 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 74.519999999999996 111.074 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -84.32 -50.64 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.968 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.59 -62.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.847 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.457 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 26.7 m-85 -78.75 -7.54 57.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.03 37.16 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.994 HD21 HD13 ' A' ' 21' ' ' LEU . 72.1 mt -51.44 151.0 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 61.350000000000001 110.913 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 156.61 16.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.239999999999995 110.916 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.5 m -53.46 -27.32 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 65.319999999999993 110.906 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 mt -73.0 -48.82 33.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 75.230000000000004 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -50.3 73.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.875 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.05 -49.95 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 74.219999999999999 110.893 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 45' ' ' SER . 83.6 t -52.28 -52.15 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 75.109999999999999 111.129 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 110.943 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.3 mt -67.99 -58.21 4.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 pt -58.53 -38.18 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 111.113 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -69.21 -38.54 78.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.86 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -63.18 -53.28 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.120000000000005 110.877 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.0 mt -66.44 -37.37 85.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.47 -51.91 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.439999999999998 110.911 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.81 -31.31 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.01 -56.55 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.811 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.53 10.5 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.510000000000005 110.875 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 t 51.65 29.55 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.450000000000003 110.894 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 84' ' ' LYS . 62.3 tp -76.11 156.01 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.39 94.6 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.943 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.83 138.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 50.350000000000001 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.45 159.09 19.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 62.420000000000002 110.806 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.06 -36.61 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 74.129999999999995 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.04 -38.02 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.91 -37.5 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 63.039999999999999 110.85 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.25 -23.14 62.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 111.031 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -60.24 -19.79 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.109999999999999 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -111.05 10.87 22.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.450000000000003 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 80' ' ' TYR . 58.3 mt -122.87 94.64 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 61.299999999999997 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.1 -36.83 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.863 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 p -92.14 164.24 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.439999999999998 111.165 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.752 HG23 HD11 ' A' ' 37' ' ' LEU . 92.4 t -61.79 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.099999999999994 111.155 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.76 -43.47 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -50.56 73.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.519999999999996 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.608 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.2 mt -62.07 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 62.009999999999998 111.093 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.19 -42.02 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.898 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -60.47 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.608 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.6 t80 -57.68 -41.79 82.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.129999999999995 110.88 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 9' ' ' ILE . 79.8 mt -70.67 -35.8 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 75.450000000000003 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -27.49 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 54.130000000000003 110.789 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.0 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.46 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 32.8 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.82 0.343 . . . . 70.200000000000003 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -51.81 -39.15 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 63.299999999999997 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.04 -51.12 68.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.319999999999993 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.787 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.61 -32.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.113 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -39.85 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 110.897 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.11 -31.66 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 53.200000000000003 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.64 -44.98 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.969 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.8 m -65.57 -41.5 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 71.299999999999997 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -72.42 -37.81 68.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.868 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -67.83 -35.76 79.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 72.540000000000006 110.913 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -74.84 -48.14 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.825 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.7 HG22 HD22 ' A' ' 51' ' ' LEU . 77.2 t -57.43 -52.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.817 ' HA ' HD23 ' A' ' 23' ' ' LEU . 56.0 mt -47.93 -48.99 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.142 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.7 -23.13 73.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 43.030000000000001 112.551 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.712 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.2 t -65.42 -49.34 69.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 65.109999999999999 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.34 2.3 31.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.937 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 51.87 91.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.891 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -95.19 156.13 16.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -98.62 -169.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -47.24 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.867 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.69 -45.03 94.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.3 mp0 -57.4 -38.65 74.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -72.41 -23.46 61.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -88.08 -26.61 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -102.42 23.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 63.020000000000003 111.104 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.75 153.2 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 64.140000000000001 110.898 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -157.0 154.77 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 54.109999999999999 110.877 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.705 -0.759 . . . . 55.299999999999997 112.518 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -97.71 38.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 73.140000000000001 111.091 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -124.75 106.58 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 52.310000000000002 111.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -53.72 105.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.140000000000001 110.844 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 74' ' ' VAL . 18.4 mt -66.55 -13.41 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.964 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.8 -49.11 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 111.082 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -84.96 -50.48 7.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.28 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.8 m-85 -78.84 -2.47 39.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.907 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 53.77 38.91 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.926 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 21' ' ' LEU . 50.1 mt -51.95 146.7 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 61.350000000000001 110.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.78 155.41 21.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.904 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.718 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.9 t -54.18 -26.54 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.319999999999993 110.889 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 mt -73.1 -49.08 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.927 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.33 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.340000000000003 110.86 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.34 -42.44 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 45' ' ' SER . 95.3 t -57.7 -54.13 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 75.109999999999999 111.151 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.38 -28.38 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 110.879 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.7 HD22 HG22 ' A' ' 17' ' ' VAL . 10.2 mt -66.06 -58.57 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.926 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 pt -61.7 -38.38 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 111.096 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -68.28 -41.6 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.859 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -61.22 -53.68 53.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.843 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -65.23 -36.91 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 75.25 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.1 -51.57 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 62.439999999999998 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.47 -31.28 66.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 70.420000000000002 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.36 -58.01 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.530000000000001 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.6 m-85 -94.91 10.21 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.510000000000005 110.863 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 t 51.68 29.68 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.7 tp -75.83 155.97 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.868 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.63 94.56 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 65.299999999999997 110.943 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -101.76 138.77 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 50.350000000000001 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -178.55 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.96 -48.39 63.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 74.129999999999995 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.91 -39.76 94.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.902 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.92 -50.37 70.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.039999999999999 110.866 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.1 -22.74 64.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.03 -21.97 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.109999999999999 110.912 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 -18.56 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 77' ' ' ILE . 89.5 mt -85.62 89.65 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.15 -36.02 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 73.519999999999996 110.79 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 p -94.64 150.96 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.439999999999998 111.225 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.843 HG22 HD11 ' A' ' 37' ' ' LEU . 34.6 t -54.7 -50.84 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 71.099999999999994 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -52.62 -47.01 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 70.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.73 -48.9 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.724 ' HA ' HD22 ' A' ' 71' ' ' LEU . 30.4 mt -58.23 -55.71 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 62.009999999999998 111.117 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.2 t -56.41 -42.0 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -41.71 97.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.829 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.3 t80 -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.924 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.494 HG22 HD13 ' A' ' 9' ' ' ILE . 83.8 mt -72.41 -36.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.450000000000003 111.105 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.1 -45.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 111.039 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 t -54.48 -27.16 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 54.130000000000003 110.816 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.47 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.7 mmtt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.239999999999995 110.876 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.0 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.901 0.381 . . . . 70.200000000000003 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -51.96 -30.09 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 63.299999999999997 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.41 -52.37 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.319999999999993 110.82 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.59 -32.6 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -40.75 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.64 -31.33 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 53.200000000000003 111.073 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -75.22 -46.67 32.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 75.200000000000003 110.899 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.5 m -63.83 -43.48 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 71.299999999999997 111.121 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.84 -37.71 76.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 73.120000000000005 110.849 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.68 -35.51 78.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.540000000000006 110.923 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -74.78 -40.84 60.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 73.299999999999997 110.828 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 13' ' ' VAL . 73.7 t -63.47 -52.73 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.5 111.13 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.9 mt -48.47 -52.71 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 62.420000000000002 111.146 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.16 -23.2 76.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 43.030000000000001 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.06 -50.71 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.388 . . . . 65.109999999999999 110.887 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.884 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.32 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 53.409999999999997 110.886 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 51.61 90.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.540000000000006 110.92 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.87 162.04 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.340000000000003 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -113.97 -179.01 3.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.918 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.04 -49.45 66.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 64.319999999999993 110.871 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.37 -55.02 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 64.530000000000001 110.864 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.9 mm100 -57.44 -43.76 84.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -67.62 -23.76 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.129999999999995 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.78 -29.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.953 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.26 22.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 63.020000000000003 111.178 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.73 153.57 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 64.140000000000001 110.864 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -158.04 158.71 35.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 54.109999999999999 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.51 -34.59 90.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 55.299999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -96.65 39.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 73.140000000000001 111.126 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.36 107.95 11.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 52.310000000000002 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -54.2 105.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 74' ' ' VAL . 9.0 mt -67.36 -12.63 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.299999999999997 110.907 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.68 -46.27 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.095 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -51.53 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.9 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -50.65 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.340000000000003 110.901 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -78.76 -2.88 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.9 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 51.92 46.43 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 74.5 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.884 HD21 HD13 ' A' ' 21' ' ' LEU . 31.3 mt -58.23 155.0 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 61.350000000000001 110.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 156.91 16.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.864 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 t -54.62 -26.69 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.852 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.84 -48.73 35.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.922 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -49.3 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.340000000000003 110.846 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -51.9 -48.34 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.219999999999999 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 45' ' ' SER . 98.1 t -54.22 -52.21 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 111.074 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.67 -30.34 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.914 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -68.26 -58.08 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.319999999999993 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.14 -38.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 111.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.75 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.855 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -61.46 -53.37 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.120000000000005 110.864 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.17 -38.29 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.861 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -57.3 -51.89 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.439999999999998 110.849 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.62 -30.44 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 70.420000000000002 110.912 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.47 -58.54 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 74.530000000000001 110.836 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.5 m-85 -94.66 10.83 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.510000000000005 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 51.82 29.69 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.822 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.2 tp -75.73 155.44 35.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.948 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -103.96 94.67 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.87 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.29 142.59 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.068 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.38 -172.39 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 62.420000000000002 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -78.56 -41.81 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.129999999999995 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.98 -31.1 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.310000000000002 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.86 -45.64 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 63.039999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.29 -23.14 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -19.39 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 70.109999999999999 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -111.33 9.82 21.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 80' ' ' TYR . 71.2 mt -122.35 90.84 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 61.299999999999997 110.899 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -117.6 -30.72 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.519999999999996 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 72.439999999999998 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.974 HG22 HD11 ' A' ' 37' ' ' LEU . 29.6 t -58.66 -54.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 71.099999999999994 111.167 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.84 -48.92 66.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 70.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.89 -50.36 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -59.64 -55.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 62.009999999999998 111.113 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.85 -40.4 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.239999999999995 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.41 -46.28 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 71' ' ' LEU . 37.3 t80 -62.36 -39.29 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.971 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 71.8 mt -73.2 -35.96 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 111.125 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -71.01 -46.78 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.115 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -54.54 -27.04 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 54.130000000000003 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 46.0 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.492 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 22.2 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.81 0.338 . . . . 70.200000000000003 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -52.35 -32.31 37.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 63.299999999999997 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.78 -50.94 71.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 65.319999999999993 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.7 -32.15 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 111.138 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -51.23 -40.64 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 110.871 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 53.200000000000003 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.19 -46.36 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.898 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.7 m -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.097 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.08 -37.43 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 73.120000000000005 110.884 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.94 -36.02 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 72.540000000000006 110.894 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -74.98 -40.39 60.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.299999999999997 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 37' ' ' LEU . 63.2 t -63.64 -52.24 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.5 111.111 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.8 mt -48.61 -52.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 62.420000000000002 111.178 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.12 76.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 43.030000000000001 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.9 -51.15 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.109999999999999 110.903 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 5.34 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 53.409999999999997 110.911 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt 50.41 89.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.897 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -92.66 149.45 21.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 71.340000000000003 110.847 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -92.99 177.02 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.897 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -33.71 66.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.319999999999993 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.1 -54.03 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 64.530000000000001 110.871 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -56.58 -33.43 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.929 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -73.57 -23.63 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.877 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -88.22 -32.85 18.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.887 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -95.46 22.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 63.020000000000003 111.14 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -94.43 154.45 17.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 64.140000000000001 110.955 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.54 153.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 54.109999999999999 110.909 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.65 89.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.676 -0.773 . . . . 55.299999999999997 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -94.19 38.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 73.140000000000001 111.134 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -125.7 106.16 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 52.310000000000002 111.202 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -53.39 105.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 74' ' ' VAL . 17.1 mt -67.45 -12.34 60.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 73.299999999999997 110.949 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.83 -46.4 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.519999999999996 111.128 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -84.95 -52.06 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.400000000000006 110.913 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.36 -63.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 63.340000000000003 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -78.79 -2.89 41.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.129999999999995 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 51.95 44.97 29.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.912 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 21' ' ' LEU . 31.8 mt -56.97 146.67 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.907 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -85.53 155.02 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.91 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.693 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.3 m -54.05 -27.17 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 65.319999999999993 110.858 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.63 -43.08 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -48.58 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.858 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -51.83 -50.57 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.85 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 45' ' ' SER . 97.9 t -52.03 -51.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 111.139 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -31.09 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.87 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.9 mt -68.59 -58.09 4.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 110.948 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.13 -38.91 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.061 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.56 -41.46 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.239999999999995 110.924 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.906 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.9 mt -65.82 -37.98 87.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.942 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.23 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 62.439999999999998 110.888 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.86 -32.5 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.855 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.78 -57.38 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.855 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.1 m-85 -95.47 11.1 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m 51.77 29.08 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.931 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.504 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.5 tp -76.47 156.29 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.09 94.49 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.872 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.75 132.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 50.350000000000001 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.58 158.94 19.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 62.420000000000002 110.834 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.75 -33.35 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.129999999999995 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.0 -34.58 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.310000000000002 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -70.47 -39.71 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.039999999999999 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.95 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 75.140000000000001 111.105 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.38 -19.76 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 70.109999999999999 110.94 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.71 13.0 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -120.0 111.15 17.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.402 . . . . 61.299999999999997 110.985 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.6 -48.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.519999999999996 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.5 p -82.34 155.12 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.439999999999998 111.085 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.891 HG22 HD11 ' A' ' 37' ' ' LEU . 40.7 t -57.45 -48.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 71.099999999999994 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -54.69 -53.68 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.22 -50.44 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.519999999999996 110.817 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.48 -55.6 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 62.009999999999998 111.154 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.85 -32.4 69.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 110.839 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -68.43 -39.12 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.7 t80 -71.87 -39.33 69.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 9' ' ' ILE . 61.9 mt -74.52 -40.22 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 75.450000000000003 111.145 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.0 -46.01 79.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.139 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -54.58 -26.74 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 54.130000000000003 110.792 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.911 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.505 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 23.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.889 0.376 . . . . 70.200000000000003 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.92 -39.31 58.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 63.299999999999997 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -50.36 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 65.319999999999993 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.808 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.1 mt -72.64 -32.4 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -50.96 -41.1 58.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.030000000000001 110.873 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.44 -31.46 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 53.200000000000003 111.172 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.11 -47.08 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.3 m -63.62 -43.38 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 71.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.9 -37.6 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.851 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.65 -35.53 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 72.540000000000006 110.895 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -74.92 -40.93 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 73.299999999999997 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.679 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.2 t -63.42 -52.32 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.5 111.119 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 34.0 mt -48.59 -53.03 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 62.420000000000002 111.155 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 -23.17 76.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.417 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.418 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.15 -51.02 68.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.874 0.369 . . . . 65.109999999999999 110.859 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.33 6.1 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 53.409999999999997 110.937 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.01 90.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.971 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.47 164.27 12.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.99 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -111.09 -176.08 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.899 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.15 -38.88 88.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.874 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 64.530000000000001 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.2 mp0 -58.85 -41.3 86.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 74.329999999999998 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -70.12 -23.06 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.821 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.96 -29.23 20.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 72.439999999999998 110.898 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -99.56 23.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.020000000000003 111.12 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -98.25 158.39 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.892 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.4 t -159.26 158.96 33.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.861 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.15 -24.07 71.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 55.299999999999997 112.506 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 p -106.49 39.04 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 73.140000000000001 111.129 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -124.51 115.83 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 52.310000000000002 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.15 105.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 71.140000000000001 110.936 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.961 HD11 HG22 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -67.69 -12.96 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.299999999999997 110.917 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.91 -45.0 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.519999999999996 111.078 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -84.36 -51.68 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.400000000000006 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.36 -62.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.843 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 37' ' ' LEU . 25.6 m-85 -78.85 -3.03 42.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.958 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.89 38.74 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.5 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 47.8 mt -51.53 148.34 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 61.350000000000001 110.899 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.82 157.13 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 75.239999999999995 110.88 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 t -55.16 -25.88 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.835 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.03 -48.88 32.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 110.876 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -49.68 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.72 -47.66 63.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.885 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 45' ' ' SER . 93.1 t -52.74 -52.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -31.34 71.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -66.81 -58.3 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 110.908 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -59.27 -38.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 111.15 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 mtp -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.851 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.72 -53.46 57.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.120000000000005 110.888 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.5 mt -65.39 -37.68 87.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.18 -52.07 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 110.878 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.7 -31.03 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 70.420000000000002 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.43 -57.47 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.530000000000001 110.877 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.07 11.51 33.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.905 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.34 30.35 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.6 tp -76.6 155.57 33.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.25 94.7 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.892 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 mt -104.02 139.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 50.350000000000001 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.11 179.64 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.86 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.76 -36.56 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.129999999999995 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.3 -42.21 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.783 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.2 -32.45 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 63.039999999999999 110.873 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.1 62.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.140000000000001 111.105 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.19 -18.75 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.862 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.99 8.82 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.937 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.82 HD22 ' HA ' ' A' ' 77' ' ' ILE . 80.5 mt -117.11 88.21 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 61.299999999999997 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.42 -37.49 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.962 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -95.84 158.4 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 111.132 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.961 HG22 HD11 ' A' ' 37' ' ' LEU . 86.2 t -58.28 -55.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.099999999999994 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.69 -42.05 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 70.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -49.65 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 73.519999999999996 110.802 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.82 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.4 mt -59.25 -55.71 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 111.148 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.71 -34.93 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.239999999999995 110.907 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -40.42 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CB ' HD21 ' A' ' 71' ' ' LEU . 36.2 t80 -69.18 -39.65 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.939 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 9' ' ' ILE . 82.1 mt -73.36 -48.33 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 75.450000000000003 111.116 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -60.32 -45.24 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.095 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -54.67 -26.81 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 54.130000000000003 110.854 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.4 mmtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 110.896 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 70.200000000000003 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.02 -38.6 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 63.299999999999997 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -51.18 67.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.835 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.54 -32.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.450000000000003 111.156 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -40.67 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.913 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.37 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 53.200000000000003 111.086 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.3 -46.49 33.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.200000000000003 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.0 m -64.32 -42.83 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 111.197 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.56 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 110.87 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -68.32 -34.97 77.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.540000000000006 110.862 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -74.97 -42.59 57.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.299999999999997 110.925 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.688 ' HA ' HD21 ' A' ' 51' ' ' LEU . 71.0 t -62.99 -51.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.148 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.826 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.6 mt -49.45 -53.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.95 -23.2 76.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.537 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -50.26 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 65.109999999999999 110.864 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.52 5.52 31.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 53.409999999999997 110.957 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 50.91 89.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.05 164.79 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -111.15 -176.62 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.319999999999993 110.928 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.42 -40.32 90.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 64.319999999999993 110.903 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.62 -48.55 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 64.530000000000001 110.857 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.794 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.1 mm100 -58.65 -34.05 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.91 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -74.56 -22.88 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.129999999999995 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -89.0 -30.28 18.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -96.55 24.15 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.117 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -101.43 155.08 18.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 64.140000000000001 110.925 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.42 159.49 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 54.109999999999999 110.831 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.75 93.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 55.299999999999997 112.514 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.2 p -94.65 38.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 111.133 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -123.55 129.35 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 52.310000000000002 111.182 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.23 104.69 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -69.9 -15.28 63.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 110.889 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.06 -42.3 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 111.096 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -84.76 -52.29 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.903 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.46 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 63.340000000000003 110.872 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -78.88 -3.03 42.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.829 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 51.99 46.91 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.905 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 21' ' ' LEU . 67.5 mt -57.69 150.6 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 61.350000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.07 155.55 19.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.879 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 p -53.83 -27.52 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.99 -48.83 33.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 75.230000000000004 110.936 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -49.92 73.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 110.927 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.14 -47.77 65.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 96.5 t -53.31 -52.31 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.109999999999999 111.119 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.78 -31.41 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.6 mt -66.66 -58.23 5.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.921 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 pt -59.1 -38.01 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 111.144 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.1 -39.2 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.897 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 t -62.81 -53.37 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 110.892 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 63' ' ' ILE . 34.2 tt0 -58.2 -51.96 67.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 62.439999999999998 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.52 -30.7 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.420000000000002 110.884 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.68 -56.88 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.5 m-85 -96.38 10.8 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t 51.09 30.71 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.903 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.488 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -76.35 155.19 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.888 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.84 94.66 5.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.928 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 56' ' ' GLU . 61.3 mt -99.59 143.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 50.350000000000001 111.103 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.49 -170.68 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.862 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -78.71 -44.75 22.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 75.310000000000002 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -57.46 -46.05 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 63.039999999999999 110.868 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.99 64.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 75.140000000000001 111.037 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.48 -22.62 44.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 70.109999999999999 110.91 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 13.9 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.885 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.2 mt -127.77 108.67 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.908 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -137.07 -41.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.519999999999996 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.41 ' HA ' HD22 ' A' ' 37' ' ' LEU . 22.2 p -88.52 157.03 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 72.439999999999998 111.141 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 37' ' ' LEU . 59.6 t -54.8 -40.52 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.099999999999994 111.091 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.04 -55.18 24.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 70.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.02 -50.42 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 110.884 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.27 -55.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 62.009999999999998 111.083 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.09 -40.73 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.18 -50.11 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HB2' HD21 ' A' ' 71' ' ' LEU . 39.4 t80 -58.56 -39.39 80.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.429 HG22 HD13 ' A' ' 9' ' ' ILE . 79.8 mt -73.25 -35.89 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.450000000000003 111.142 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 -46.14 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.319999999999993 111.09 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -54.35 -27.34 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 54.130000000000003 110.874 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HG3' HD11 ' A' ' 61' ' ' LEU . 50.0 mmtt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.239999999999995 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.805 0.336 . . . . 70.200000000000003 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -52.66 -37.09 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.299999999999997 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.36 -50.81 72.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 65.319999999999993 110.946 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.795 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.5 mt -72.76 -32.36 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.121 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -51.4 -40.37 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.895 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.443 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.93 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.200000000000003 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.71 -44.98 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.200000000000003 110.96 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.0 m -65.05 -41.55 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.299999999999997 111.187 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.61 -38.16 67.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.772 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.94 -35.92 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 72.540000000000006 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -74.98 -48.94 21.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 110.825 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.73 HG22 HD22 ' A' ' 51' ' ' LEU . 78.9 t -56.57 -50.3 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.5 111.179 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 47.3 mt -47.97 -51.54 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 62.420000000000002 111.166 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.88 -23.2 75.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 43.030000000000001 112.506 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.71 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.8 t -63.97 -50.79 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 65.109999999999999 110.845 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.75 4.63 32.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 53.409999999999997 110.926 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 49.62 89.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.540000000000006 110.914 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.35 167.09 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.879 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.42 -174.73 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 110.915 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.48 -38.17 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.319999999999993 110.872 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.43 -46.38 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.530000000000001 110.921 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.776 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.5 mm100 -61.87 -36.62 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.89 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.1 -23.78 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.918 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -88.44 -28.9 20.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.439999999999998 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -99.4 21.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.020000000000003 111.14 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -97.11 151.43 19.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.140000000000001 110.93 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -155.75 159.14 39.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 54.109999999999999 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.97 -36.16 92.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 55.299999999999997 112.447 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -95.15 38.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 111.149 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -126.98 105.1 8.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -54.62 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.140000000000001 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD11 HG22 ' A' ' 74' ' ' VAL . 20.1 mt -66.21 -15.33 63.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.893 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.0 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.08 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -84.75 -47.95 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 110.862 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.57 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.862 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 37' ' ' LEU . 39.1 m-85 -78.64 -3.38 43.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.916 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 55.15 42.65 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 74.5 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 32.4 mt -54.64 141.08 33.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.350000000000001 110.918 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -78.33 155.87 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.866 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 t -55.1 -25.9 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.88 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.02 -48.8 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -50.15 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.861 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.62 -41.52 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 83.9 t -57.99 -53.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 75.109999999999999 111.201 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.49 -28.25 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.849 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.16 -58.53 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.962 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.9 pt -61.1 -38.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 111.101 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.0 mtp -68.28 -42.72 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.833 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -59.65 -53.64 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 73.120000000000005 110.871 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.3 mt -65.04 -38.02 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.948 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.83 -52.07 65.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 62.439999999999998 110.917 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.94 -31.49 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.420000000000002 110.947 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -57.42 -55.4 35.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 74.530000000000001 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.795 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.8 m-85 -99.73 11.52 39.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 110.869 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t 51.56 29.81 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 74.450000000000003 110.87 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.44 155.44 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -104.74 94.52 5.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mt -100.98 139.71 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 50.350000000000001 111.153 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -110.65 -171.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.1 -46.97 26.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.83 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.72 -32.19 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.01 -46.8 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.19 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 111.055 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -20.84 57.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.951 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -111.33 11.12 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.450000000000003 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 80' ' ' TYR . 57.4 mt -123.55 94.47 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 61.299999999999997 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 73' ' ' THR . 17.5 pt-20 -121.09 -38.1 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.93 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 72' ' ' GLU . 66.9 p -93.32 153.15 18.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 72.439999999999998 111.081 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.782 HG22 HD11 ' A' ' 37' ' ' LEU . 45.0 t -51.42 -52.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 111.06 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.97 -42.21 68.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 70.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.88 -50.45 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.519999999999996 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HA ' HD22 ' A' ' 71' ' ' LEU . 62.0 mt -60.8 -55.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 62.009999999999998 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.88 -39.02 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.929 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.0 -44.9 91.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.5 t80 -64.11 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.943 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.526 HG22 HD13 ' A' ' 9' ' ' ILE . 80.8 mt -74.71 -38.58 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.450000000000003 111.137 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -64.72 -45.17 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.319999999999993 111.058 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 t -54.79 -26.56 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HG3' HD11 ' A' ' 61' ' ' LEU . 24.6 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.239999999999995 110.898 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.418 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.2 t . . . . . 0 N--CA 1.458 -0.03 0 CA-C-O 120.869 0.366 . . . . 70.200000000000003 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.3 -33.77 76.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.52 -50.42 73.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.985 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.5 mt -72.72 -32.29 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 72.450000000000003 111.07 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.904 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.68 69.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 53.200000000000003 111.104 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -75.33 -45.59 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 75.200000000000003 110.937 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.34 -42.69 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 111.081 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.47 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 73.120000000000005 110.864 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -34.93 75.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.540000000000006 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 p -75.1 -41.62 58.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.786 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HD13 ' A' ' 37' ' ' LEU . 77.4 t -63.78 -52.55 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.5 111.153 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.84 ' HA ' HD23 ' A' ' 23' ' ' LEU . 44.4 mt -48.25 -52.8 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 111.119 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.33 -23.49 75.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 43.030000000000001 112.504 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.8 -50.68 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 65.109999999999999 110.845 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.34 4.88 31.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.899 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt 50.46 88.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.895 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -91.7 155.07 18.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -101.43 -176.29 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.817 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.79 -54.34 47.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.530000000000001 110.826 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.0 mm100 -55.39 -43.08 74.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.329999999999998 110.902 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.28 -23.05 62.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 73.129999999999995 110.895 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.58 -28.43 24.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.439999999999998 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -104.01 23.4 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.169 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 18.4 tp -90.06 159.09 17.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.925 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.77 145.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.817 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.44 -33.14 39.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.683 -0.77 . . . . 55.299999999999997 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -94.22 39.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 111.131 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -128.53 104.45 7.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 52.310000000000002 111.161 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -53.46 105.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 110.96 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.959 HD13 HG11 ' A' ' 17' ' ' VAL . 18.0 mt -67.1 -11.96 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 73.299999999999997 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.97 -46.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 111.051 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.400000000000006 110.926 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.61 -63.17 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 63.340000000000003 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.5 m-85 -78.23 -3.93 45.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 t30 51.43 44.56 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 21' ' ' LEU . 35.0 mt -56.53 151.56 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.48 155.4 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.946 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.6 t -54.46 -26.52 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.881 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -72.82 -48.84 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -49.24 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 73.340000000000003 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.68 -46.75 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 45' ' ' SER . 90.0 t -54.14 -53.27 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.109999999999999 111.124 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.91 -29.64 70.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.893 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.0 mt -68.21 -58.42 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.319999999999993 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -58.89 -38.4 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.145 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -68.51 -40.79 80.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 110.842 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.28 -53.29 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 73.120000000000005 110.814 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 13' ' ' VAL . 12.3 mt -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.57 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 62.439999999999998 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.86 -31.48 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.35 -57.48 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.530000000000001 110.906 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.2 m-85 -95.72 11.01 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 75.510000000000005 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.78 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.450000000000003 110.805 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 80' ' ' TYR . 62.4 tp -76.4 155.94 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.949 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -105.24 94.65 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -102.54 134.64 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.148 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -112.51 160.95 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 110.815 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.57 -37.25 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.84 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.98 -29.29 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 75.310000000000002 110.877 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -68.48 -40.65 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 63.039999999999999 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.93 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.140000000000001 111.167 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -22.52 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.109999999999999 110.906 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.52 13.59 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.450000000000003 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' ' 77' ' ' ILE . 60.1 mt -124.58 96.25 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.46 -37.65 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 73.519999999999996 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 p -93.78 157.43 16.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 111.123 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 37' ' ' LEU . 24.1 t -57.17 -51.73 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 111.096 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.21 -52.13 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 70.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -56.34 -50.35 71.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.859 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.3 mt -57.22 -55.39 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 62.009999999999998 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.78 -34.63 69.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -66.96 -41.4 86.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.553 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.4 t80 -68.63 -39.68 80.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.907 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 9' ' ' ILE . 63.3 mt -74.45 -35.76 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 75.450000000000003 111.143 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -67.38 -48.28 67.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 111.132 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -26.53 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 54.130000000000003 110.851 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG3' HD11 ' A' ' 61' ' ' LEU . 43.9 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 70.239999999999995 110.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.416 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 7.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.37 . . . . 70.200000000000003 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.3 -38.37 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 63.299999999999997 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.8 -51.68 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 65.319999999999993 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.757 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 8.2 mt -72.58 -36.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -51.62 -40.46 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.83 -31.29 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 53.200000000000003 111.079 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.65 -44.94 39.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.95 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.0 m -65.13 -41.71 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 71.299999999999997 111.111 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.448 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.23 -38.47 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.954 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.1 -35.74 80.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 110.886 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -74.73 -49.4 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.744 HG22 HD22 ' A' ' 51' ' ' LEU . 78.5 t -56.22 -50.63 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.7 mt -47.92 -51.18 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.38 74.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.484 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.743 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.35 -50.37 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 65.109999999999999 110.909 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.931 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.23 4.32 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 53.409999999999997 110.94 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 49.91 88.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.540000000000006 110.903 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -89.8 173.0 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.93 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -121.69 -179.54 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 110.899 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -58.06 -37.3 74.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -71.1 -47.31 58.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.793 ' HB3' HD12 ' A' ' 23' ' ' LEU . 42.5 mm-40 -60.73 -37.97 83.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -73.35 -23.91 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.937 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -87.09 -30.41 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.908 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -98.86 23.31 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.020000000000003 111.129 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -96.42 157.5 15.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 64.140000000000001 110.938 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.479 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -161.37 160.07 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 54.109999999999999 110.879 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.49 -36.43 93.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 55.299999999999997 112.475 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -95.43 39.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 73.140000000000001 111.157 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -121.6 106.31 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 52.310000000000002 111.194 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -55.86 103.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.87 HD11 HG22 ' A' ' 74' ' ' VAL . 21.2 mt -66.2 -13.42 60.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.909 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.95 -48.77 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 111.108 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -84.85 -50.94 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.02 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 63.340000000000003 110.88 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 37' ' ' LEU . 30.0 m-85 -78.79 -2.8 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.869 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 54.15 38.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.902 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.931 HD21 HD13 ' A' ' 21' ' ' LEU . 55.6 mt -51.44 144.65 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 61.350000000000001 110.943 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -83.42 155.97 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.239999999999995 110.861 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.1 t -54.48 -26.38 30.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 65.319999999999993 110.907 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.11 -48.77 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 75.230000000000004 110.933 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -48.96 76.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.89 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.99 -42.83 69.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.219999999999999 110.966 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 45' ' ' SER . 80.5 t -57.77 -53.86 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 75.109999999999999 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.22 -28.98 70.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 110.831 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD22 HG22 ' A' ' 17' ' ' VAL . 9.4 mt -66.08 -58.4 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.61 -38.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 111.085 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.99 -41.72 81.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 110.887 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -61.58 -53.41 56.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 73.120000000000005 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -64.97 -37.23 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.947 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -58.05 -51.93 67.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 62.439999999999998 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.65 -29.91 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.420000000000002 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.31 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.530000000000001 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.757 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.4 m-85 -92.79 11.05 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 110.882 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 t 51.51 29.87 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.901 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 84' ' ' LYS . 59.7 tp -76.52 156.36 32.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.946 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -105.26 94.66 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.914 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.86 137.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 50.350000000000001 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.129999999999995 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.0 -41.25 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 75.310000000000002 110.904 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.81 -50.43 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 63.039999999999999 110.821 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.75 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 111.091 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -21.51 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.924 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -18.05 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.86 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 77' ' ' ILE . 58.7 mt -84.82 96.97 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 61.299999999999997 110.934 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' OE2' HG23 ' A' ' 73' ' ' THR . 2.0 pp20? -130.06 10.83 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.89 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.549 HG23 ' OE2' ' A' ' 72' ' ' GLU . 1.4 p -139.88 149.96 44.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 111.179 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 HD11 ' A' ' 37' ' ' LEU . 64.3 t -53.8 -55.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -52.84 -47.38 67.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 70.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.27 -50.36 73.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.4 ' HA ' HD22 ' A' ' 71' ' ' LEU . 11.5 mt -56.03 -55.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.009999999999998 111.148 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.4 t -57.23 -41.45 79.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.239999999999995 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.91 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.7 t80 -68.73 -42.12 78.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.98 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.498 ' CG2' HG21 ' A' ' 9' ' ' ILE . 63.1 mt -70.12 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 75.450000000000003 111.107 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.68 -46.31 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.09 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.5 t -54.47 -27.04 34.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.814 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.526 ' HG3' HD11 ' A' ' 61' ' ' LEU . 7.9 mmtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 110.913 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 70.200000000000003 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -52.7 -38.83 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 63.299999999999997 110.833 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.35 -51.4 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.917 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.788 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.68 -32.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 111.187 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.18 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 74.030000000000001 110.946 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.17 -31.28 68.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 53.200000000000003 111.104 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -75.69 -44.71 40.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.38 -41.51 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 111.208 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.66 -38.39 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 73.120000000000005 110.938 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.81 -37.09 83.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.918 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -74.9 -47.42 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 73.299999999999997 110.85 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 51' ' ' LEU . 49.1 t -56.63 -51.77 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.5 111.158 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.827 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.2 mt -49.0 -49.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 62.420000000000002 111.184 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.29 -23.35 74.03 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.030000000000001 112.492 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.739 ' HB3' HD23 ' A' ' 21' ' ' LEU . 2.3 t -64.7 -50.04 68.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 65.109999999999999 110.88 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.12 4.29 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 53.409999999999997 110.938 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 49.43 88.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.540000000000006 110.933 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -89.38 149.87 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.340000000000003 110.969 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.02 164.82 15.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 75.319999999999993 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.04 -38.0 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.929 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -72.12 -36.55 69.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 64.530000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -65.88 -31.34 72.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.884 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -74.96 -22.59 58.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.854 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -88.61 -31.44 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -95.27 23.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 63.020000000000003 111.143 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -99.68 153.51 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.140000000000001 110.983 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.04 151.47 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 54.109999999999999 110.826 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.55 85.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 55.299999999999997 112.522 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -95.62 38.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 73.140000000000001 111.104 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -128.55 107.69 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 52.310000000000002 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -53.8 105.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.882 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 74' ' ' VAL . 18.8 mt -66.46 -13.7 61.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.938 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.06 -48.32 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -85.15 -49.4 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 110.854 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.08 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 63.340000000000003 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.5 ' HE2' HD22 ' A' ' 37' ' ' LEU . 33.4 m-85 -78.69 -2.62 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 52.16 60.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.968 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 21' ' ' LEU . 31.9 mt -73.1 152.79 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 61.350000000000001 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.1 155.69 17.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.833 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 49' ' ' VAL . 38.2 t -54.92 -25.58 30.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 65.319999999999993 110.88 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.04 -36.31 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 75.230000000000004 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -46.29 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.894 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.25 -44.22 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.831 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' SER . 84.9 t -57.32 -52.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 111.164 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.36 -29.24 70.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.844 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 17' ' ' VAL . 10.0 mt -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.82 -38.7 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.131 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.58 -41.69 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.914 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -60.39 -53.72 54.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.120000000000005 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.491 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.0 mt -65.5 -37.86 88.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.903 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.46 -51.9 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 62.439999999999998 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.62 -31.9 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.919 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -57.63 -56.24 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.788 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.6 m-85 -96.73 10.94 37.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.510000000000005 110.859 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 51.86 29.16 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 110.796 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' A' ' 84' ' ' LYS . 61.2 tp -76.13 156.42 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.97 94.58 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.299999999999997 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 132.32 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.12 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 158.28 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 62.420000000000002 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.29 -33.51 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.856 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.908 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -70.6 -39.61 73.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.84 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -22.81 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.182 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -59.23 -20.89 57.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 13.73 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 110.872 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 80' ' ' TYR . 79.8 mt -122.09 120.51 34.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.885 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.38 -47.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.863 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.8 p -84.14 157.44 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.439999999999998 111.208 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 37' ' ' LEU . 44.5 t -56.65 -51.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 71.099999999999994 111.142 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.23 -42.62 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 70.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -63.69 -50.69 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 110.853 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.36 -55.85 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 62.009999999999998 111.173 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.2 t -54.74 -40.64 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -61.73 -49.22 77.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.7 t80 -59.45 -39.73 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.953 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 9' ' ' ILE . 77.8 mt -72.65 -35.64 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.450000000000003 111.144 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.16 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -54.42 -27.46 37.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 54.130000000000003 110.893 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.514 ' HG3' HD11 ' A' ' 61' ' ' LEU . 26.0 mmtm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.799 0.249 . . . . 74.430000000000007 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.3 110.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 71.25 112.503 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -116.23 -35.82 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 72.209999999999994 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp -55.68 -25.83 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.9 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.55 150.65 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 111.167 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 1.8 m -63.42 93.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 110.863 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.01 -29.47 67.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.299999999999997 110.928 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.71 -52.29 57.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 65.319999999999993 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.4 mt -72.58 -32.41 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 72.450000000000003 111.1 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -51.32 -40.74 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.921 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.61 -31.52 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 53.200000000000003 111.094 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.19 -46.33 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.939 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.6 m -64.4 -43.06 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.299999999999997 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.27 -37.55 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.881 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -68.08 -35.42 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.540000000000006 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -74.93 -41.86 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.877 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.908 HG11 HD13 ' A' ' 37' ' ' LEU . 76.4 t -63.17 -51.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.5 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 38.4 mt -49.17 -53.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.099 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.28 76.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.453 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -49.98 72.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 65.109999999999999 110.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.63 5.19 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.409999999999997 110.925 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 50.15 88.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.540000000000006 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.97 153.14 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.922 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -101.06 175.98 5.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.319999999999993 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.15 -41.54 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.82 -54.07 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.530000000000001 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.7 mm100 -57.21 -40.96 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.878 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -70.71 -22.54 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.935 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -89.44 -21.95 22.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -109.54 22.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 63.020000000000003 111.147 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -95.8 155.01 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.938 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.12 158.74 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.109999999999999 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.12 -30.55 77.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 55.299999999999997 112.454 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 p -99.59 39.0 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.916 0.388 . . . . 73.140000000000001 111.165 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -126.39 107.82 10.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.18 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -53.67 104.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 110.902 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.908 HD13 HG11 ' A' ' 17' ' ' VAL . 15.9 mt -67.86 -12.2 60.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.299999999999997 110.932 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -46.02 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 111.142 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -85.14 -51.48 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.893 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.62 -63.22 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.55 -3.79 45.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.893 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.1 47.74 24.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.5 110.905 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 76.9 mt -58.64 150.3 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 61.350000000000001 110.937 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -84.64 154.67 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 75.239999999999995 110.849 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 49' ' ' VAL . 70.6 p -55.22 -25.99 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 110.884 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -48.53 36.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -48.83 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.881 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.75 -45.42 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.855 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -55.58 -52.22 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 111.151 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.1 mt -66.76 -58.55 4.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 73.319999999999993 110.881 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.0 pt -58.78 -38.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.49 -39.79 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.882 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -62.62 -53.49 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.8 mt -65.09 -37.44 87.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.62 -52.0 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.439999999999998 110.841 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.6 -29.47 64.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.868 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -60.78 -57.89 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.9 m-85 -95.18 10.81 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.510000000000005 110.867 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m 51.51 30.41 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.857 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.5 tp -76.26 155.54 34.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.93 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.36 94.67 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.299999999999997 110.88 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -99.87 143.61 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.123 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 m -112.32 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 62.420000000000002 110.855 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -75.67 -41.78 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.02 -32.49 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.83 -47.28 80.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -23.18 63.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.61 -24.03 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 70.109999999999999 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.57 12.84 21.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 80' ' ' TYR . 74.8 mt -121.93 97.98 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -126.08 -37.62 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 73.519999999999996 110.9 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -86.86 158.37 19.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 72.439999999999998 111.141 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.844 HG22 HD11 ' A' ' 37' ' ' LEU . 21.6 t -60.3 -53.97 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.099999999999994 111.112 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.12 -50.54 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.519999999999996 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.2 -55.75 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 62.009999999999998 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.72 -38.72 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.907 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.67 -46.73 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.505 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.0 t80 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.889 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 9' ' ' ILE . 62.3 mt -73.61 -35.73 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.450000000000003 111.138 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -68.16 -46.12 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 111.111 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -54.37 -27.05 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.849 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -81.78 -30.33 32.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 70.239999999999995 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 t -82.38 -172.59 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.210000000000001 110.802 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -108.42 -37.36 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 64.319999999999993 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.16 132.33 50.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.89 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 70.239999999999995 111.109 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.115 0 CA-C-O 120.786 0.244 . . . . 74.430000000000007 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.98 -170.06 12.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 71.25 112.563 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -139.04 155.69 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 72.209999999999994 110.806 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -32.84 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.129999999999995 110.898 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.0 t -61.81 148.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 111.142 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 36.8 t -98.59 102.89 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 70.200000000000003 110.832 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.29 -33.93 55.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 63.299999999999997 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.54 -51.23 69.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 65.319999999999993 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.78 -32.4 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.450000000000003 111.105 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -40.44 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.914 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.46 69.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 53.200000000000003 111.138 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -75.28 -46.52 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.9 m -64.35 -42.93 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.089 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.59 74.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.829 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.31 -34.96 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -41.75 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.687 ' HA ' HD21 ' A' ' 51' ' ' LEU . 69.6 t -63.41 -51.57 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.5 111.138 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.824 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.0 mt -49.13 -52.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 62.420000000000002 111.141 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -23.22 76.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 43.030000000000001 112.452 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -50.16 71.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 65.109999999999999 110.897 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.37 4.62 31.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.929 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt 51.06 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.911 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.19 166.99 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -111.87 -170.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.319999999999993 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.57 -40.09 88.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.846 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.67 -47.84 68.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.530000000000001 110.888 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.6 mm100 -59.9 -38.34 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.885 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.7 -22.78 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -88.86 -27.72 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.85 22.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.020000000000003 111.057 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 153.2 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.875 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -155.14 159.18 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 54.109999999999999 110.833 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.59 -27.25 73.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 55.299999999999997 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -102.92 38.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 73.140000000000001 111.126 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m -125.46 107.64 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 52.310000000000002 111.154 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -54.15 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.969 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 74' ' ' VAL . 19.7 mt -66.28 -13.96 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.299999999999997 110.964 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.88 -49.05 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.111 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -84.63 -48.69 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.400000000000006 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.19 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.1 m-85 -78.92 -3.19 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.939 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m120 54.62 38.32 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 51.4 mt -51.46 147.41 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.97 156.24 21.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.941 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.5 p -55.01 -26.31 36.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 65.319999999999993 110.848 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.06 -48.8 32.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.936 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -50.19 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 110.847 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.89 -46.33 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.219999999999999 110.902 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 95.2 t -56.08 -54.64 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 75.109999999999999 111.087 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.97 -29.06 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.8 mt -68.61 -58.14 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.319999999999993 110.992 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.5 pt -59.88 -36.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.136 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.7 mtp -69.07 -41.61 77.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.815 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -62.27 -50.49 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.85 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -67.11 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.97 -51.97 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 62.439999999999998 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -71.7 -31.23 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.420000000000002 110.88 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -59.21 -56.32 23.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 74.530000000000001 110.837 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.3 m-85 -96.68 10.34 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p 51.66 29.54 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 74.450000000000003 110.898 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.5 tp -75.39 155.22 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.944 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -103.86 94.58 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.299999999999997 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.86 138.7 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 50.350000000000001 111.114 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -108.98 -171.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.842 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.94 -37.59 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -74.87 -39.84 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -52.75 -49.79 64.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.9 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -20.61 57.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 70.109999999999999 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.92 -21.8 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.450000000000003 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 77' ' ' ILE . 65.1 mt -80.93 92.64 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 61.299999999999997 110.923 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 73' ' ' THR . 8.8 pt-20 -118.36 -30.1 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 72' ' ' GLU . 37.3 p -102.84 151.25 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 72.439999999999998 111.094 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 37' ' ' LEU . 34.0 t -53.49 -51.0 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 111.126 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -52.64 -42.73 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -65.87 -46.85 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.565 ' HA ' HD22 ' A' ' 71' ' ' LEU . 52.4 mt -60.74 -55.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 62.009999999999998 111.07 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.5 t -58.25 -40.36 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -63.32 -39.97 96.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.3 t80 -69.18 -38.31 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.968 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.513 HG22 HD13 ' A' ' 9' ' ' ILE . 82.9 mt -73.53 -40.19 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.77 -47.32 72.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.114 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -54.43 -27.11 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 32.2 mmtt -77.69 -40.61 40.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.902 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -54.68 -65.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 62.210000000000001 110.873 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -54.65 -56.3 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.319999999999993 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -115.93 87.64 2.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 61.420000000000002 110.863 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 70.239999999999995 111.118 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.124 0 CA-C-O 120.898 0.291 . . . . 74.430000000000007 112.356 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.83 72.26 1.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.762 -0.733 . . . . 71.25 112.453 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -114.41 146.95 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 72.209999999999994 110.867 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 30.3 ttm -77.24 -25.92 52.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.803 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -56.27 141.54 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 111.158 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.3 m -67.09 89.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.200000000000003 110.821 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -52.41 -29.67 25.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.299999999999997 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.45 -52.74 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 65.319999999999993 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.783 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.0 mt -72.66 -33.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 72.450000000000003 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -51.57 -40.89 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.030000000000001 110.846 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.55 -31.3 69.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 53.200000000000003 111.1 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.13 -46.78 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 75.200000000000003 110.891 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.6 m -63.92 -43.56 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 71.299999999999997 111.085 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.71 -37.57 76.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.864 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.77 -35.66 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 72.540000000000006 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -74.76 -40.43 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.896 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 37' ' ' LEU . 78.9 t -63.63 -52.76 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 75.5 111.101 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.836 ' HA ' HD23 ' A' ' 23' ' ' LEU . 31.6 mt -48.32 -52.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.154 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.14 -23.27 76.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 43.030000000000001 112.489 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.95 -50.88 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 65.109999999999999 110.852 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.46 5.63 31.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.971 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 50.88 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.28 160.97 14.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.09 -178.16 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.865 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.02 -42.17 84.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.846 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.13 -54.09 39.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.74 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -56.73 -37.73 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.329999999999998 110.886 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -74.59 -23.79 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.968 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.32 -21.4 24.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.902 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -108.4 22.6 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 63.020000000000003 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -96.05 158.92 15.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.948 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.465 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -161.1 159.93 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 54.109999999999999 110.862 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.46 70.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 55.299999999999997 112.49 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 p -108.19 39.23 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 73.140000000000001 111.204 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 110.29 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.31 105.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.995 HD11 HG22 ' A' ' 74' ' ' VAL . 0.5 OUTLIER -66.99 -13.41 61.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.913 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.85 -45.1 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.04 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -52.86 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -50.5 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 63.340000000000003 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -78.73 -2.83 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.864 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.9 40.02 27.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 21' ' ' LEU . 42.7 mt -51.34 156.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.905 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -98.14 157.66 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 110.943 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 31.9 p -55.66 -25.15 37.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.319999999999993 110.831 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.92 -36.5 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -47.06 26.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.906 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -51.85 -46.57 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.219999999999999 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' SER . 72.5 t -54.75 -54.86 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 75.109999999999999 111.116 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.7 -32.2 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 71.129999999999995 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.2 mt -66.49 -58.09 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.319999999999993 110.946 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.04 -37.09 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 111.17 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.04 -42.36 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.9 p -62.52 -51.47 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 73.120000000000005 110.89 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -64.64 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 75.25 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD12 ' A' ' 63' ' ' ILE . 28.3 tt0 -59.19 -51.99 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.439999999999998 110.932 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.68 -27.74 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 70.420000000000002 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -62.51 -57.0 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 110.926 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.783 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.8 m-85 -95.43 11.07 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t 51.64 29.37 5.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.867 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -75.18 155.02 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 74.25 110.951 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.33 94.37 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 65.299999999999997 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 56' ' ' GLU . 64.2 mt -98.3 141.34 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 50.350000000000001 111.114 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 m -110.82 -171.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 62.420000000000002 110.852 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -77.87 -45.59 23.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.843 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.62 -30.91 61.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.77 -46.69 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 63.039999999999999 110.886 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -23.03 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 111.083 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.83 -20.2 55.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 70.109999999999999 110.944 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -111.46 10.25 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 80' ' ' TYR . 62.9 mt -122.24 95.3 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 61.299999999999997 110.899 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -123.61 -41.96 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -84.2 163.48 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 111.08 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.995 HG22 HD11 ' A' ' 37' ' ' LEU . 84.7 t -61.89 -55.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 71.099999999999994 111.134 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -54.39 -45.27 72.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.833 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.98 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.905 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.9 mt -61.67 -55.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 62.009999999999998 111.158 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.45 -37.04 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.239999999999995 110.895 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -64.99 -49.11 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.614 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.7 t80 -60.41 -38.44 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.486 HG22 HD13 ' A' ' 9' ' ' ILE . 66.4 mt -74.56 -35.95 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.450000000000003 111.106 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.54 -45.51 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 111.069 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -54.44 -26.79 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 54.130000000000003 110.906 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' A' ' 61' ' ' LEU . 22.7 mmtm -81.29 -32.08 33.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.929 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -82.17 -173.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 62.210000000000001 110.911 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.0 m -119.05 26.63 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.319999999999993 110.937 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -105.75 38.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 61.420000000000002 110.896 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 70.239999999999995 111.108 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.859 0.275 . . . . 74.430000000000007 112.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.46 132.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 71.25 112.521 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -173.53 166.11 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 72.209999999999994 110.88 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -75.26 -33.68 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 110.904 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -51.53 148.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 72.329999999999998 111.154 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -63.82 93.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.847 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -58.67 -30.95 67.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 63.299999999999997 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.82 -52.6 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 65.319999999999993 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.54 -32.31 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 111.117 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.05 -40.6 58.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.886 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.82 -31.56 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.200000000000003 111.146 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.1 -46.28 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.200000000000003 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.7 m -64.69 -43.2 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.299999999999997 111.108 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.0 -37.47 75.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.845 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -68.36 -35.68 78.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.926 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -74.87 -40.89 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.299999999999997 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.878 HG11 HD13 ' A' ' 37' ' ' LEU . 74.2 t -63.71 -53.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 75.5 111.123 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 mt -48.19 -52.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.161 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.31 -23.16 76.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 43.030000000000001 112.485 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.05 -51.15 67.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 65.109999999999999 110.905 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.2 5.23 32.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 53.409999999999997 110.894 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 50.12 89.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.913 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.835 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -92.43 149.47 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 110.922 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -95.94 -179.66 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -49.36 70.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.899 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.22 -54.53 44.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.717 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.2 mm100 -54.46 -46.95 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -67.58 -22.63 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.882 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.99 -19.39 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -113.98 21.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 63.020000000000003 111.167 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.73 154.93 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 64.140000000000001 110.878 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.03 159.38 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 54.109999999999999 110.824 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.68 -30.67 76.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 55.299999999999997 112.503 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -100.08 38.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 73.140000000000001 111.157 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.02 107.55 10.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 52.310000000000002 111.151 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -53.66 103.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 110.844 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.878 HD13 HG11 ' A' ' 17' ' ' VAL . 18.5 mt -67.8 -12.25 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 73.299999999999997 110.948 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.22 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.519999999999996 111.083 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -85.1 -52.38 5.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -50.12 -63.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' HE2' HD22 ' A' ' 37' ' ' LEU . 38.3 m-85 -78.67 -2.98 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.57 47.5 24.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 74.5 110.893 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 HD13 ' A' ' 21' ' ' LEU . 31.7 mt -58.8 143.99 45.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 61.350000000000001 110.912 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.66 155.26 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.839 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 p -55.14 -26.04 35.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.857 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -72.73 -40.88 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.929 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -48.14 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 110.844 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.92 -49.09 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.892 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 45' ' ' SER . 98.6 t -52.95 -51.46 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -30.92 71.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.129999999999995 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.55 -58.24 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.967 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.66 -38.55 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 111.179 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.57 -41.33 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.892 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 t -60.1 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.120000000000005 110.786 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.68 -37.82 87.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -56.29 -52.21 65.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 62.439999999999998 110.86 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -71.82 -31.99 67.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.420000000000002 110.907 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -57.14 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.530000000000001 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.8 m-85 -98.44 11.52 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.510000000000005 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t 51.58 29.46 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 74.450000000000003 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.6 tp -75.29 155.76 36.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.73 94.63 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.299999999999997 110.835 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 mt -103.07 137.48 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 50.350000000000001 111.186 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -112.42 159.25 18.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 62.420000000000002 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -51.86 -32.7 33.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -44.77 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.310000000000002 110.867 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -55.59 -39.98 71.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -23.19 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.39 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 70.109999999999999 110.898 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -110.72 3.71 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -112.94 112.27 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.299999999999997 110.868 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -137.43 -42.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.9 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 p -87.77 159.49 18.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.12 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 37' ' ' LEU . 21.5 t -59.36 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 71.099999999999994 111.12 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -52.64 -49.25 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 70.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -56.54 -50.44 71.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.57 -55.78 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.009999999999998 111.115 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.2 t -55.66 -37.99 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.239999999999995 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.12 -45.95 86.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' HD21 ' A' ' 61' ' ' LEU . 38.7 t80 -62.59 -39.66 94.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.926 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG22 HD13 ' A' ' 9' ' ' ILE . 81.5 mt -73.94 -35.77 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.450000000000003 111.147 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.77 81.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t -54.37 -26.79 32.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 54.130000000000003 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.8 mmtt -86.06 -51.51 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.912 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.3 m -114.72 127.83 55.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 62.210000000000001 110.808 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -118.38 -47.39 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 64.319999999999993 110.874 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -131.81 51.6 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 61.420000000000002 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 70.239999999999995 111.106 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.845 0.269 . . . . 74.430000000000007 112.382 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.95 -103.41 2.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 71.25 112.453 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -121.19 66.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 72.209999999999994 110.839 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 mtt -52.92 -56.88 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 72.129999999999995 110.81 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -93.07 138.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 111.169 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 2.2 m -65.12 91.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 70.200000000000003 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -54.36 -30.25 51.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.822 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.42 -52.74 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.477 . . . . 65.319999999999993 110.924 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.57 -32.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.450000000000003 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -51.66 -40.48 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.030000000000001 110.935 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.41 69.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 53.200000000000003 111.145 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.29 -46.17 35.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.815 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.1 m -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 71.299999999999997 111.204 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.01 -37.78 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.891 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.26 -34.97 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 72.540000000000006 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 p -74.83 -40.77 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 110.802 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 37' ' ' LEU . 75.1 t -63.8 -53.0 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.5 111.14 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.82 ' HA ' HD23 ' A' ' 23' ' ' LEU . 60.6 mt -48.6 -52.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 62.420000000000002 111.118 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.38 -23.07 76.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.756 . . . . 43.030000000000001 112.536 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.4 -50.25 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 65.109999999999999 110.923 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.919 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 4.85 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 53.409999999999997 110.887 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 51.8 91.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -96.58 165.67 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.926 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -115.43 172.78 6.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.876 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -55.03 -25.95 33.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 64.319999999999993 110.934 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.8 -43.65 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 64.530000000000001 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CB ' HD12 ' A' ' 23' ' ' LEU . 2.2 mp0 -71.29 -25.27 62.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -75.63 -44.89 40.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 73.129999999999995 110.821 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.566 ' HG3' HG23 ' A' ' 30' ' ' ILE . 3.8 pt20 -65.95 -23.23 66.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.925 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 29' ' ' GLN . 2.1 pp -105.87 19.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.020000000000003 111.13 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 148.35 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 64.140000000000001 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -155.98 159.33 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 54.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.96 92.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 55.299999999999997 112.433 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -93.95 39.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 73.140000000000001 111.103 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -124.88 105.34 9.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 52.310000000000002 111.119 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -53.58 105.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 110.919 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.913 HD11 HG22 ' A' ' 74' ' ' VAL . 7.2 mt -66.97 -13.02 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.904 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.66 -47.36 12.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.519999999999996 111.113 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -84.9 -50.84 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.65 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 63.340000000000003 110.884 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -78.75 -2.87 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.909 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 53.51 39.86 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 74.5 110.818 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 21' ' ' LEU . 45.4 mt -52.5 155.07 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 61.350000000000001 110.901 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 157.94 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.88 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 18.0 m -55.23 -26.17 37.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 65.319999999999993 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.93 -48.65 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 75.230000000000004 110.948 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -49.11 78.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.826 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -51.79 -48.34 63.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -54.58 -52.04 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.109999999999999 111.105 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.47 -30.14 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.898 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.681 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.51 -58.18 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -38.29 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 111.143 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.66 -41.0 79.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.85 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.23 -53.28 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.918 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD1' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.35 -37.92 88.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.865 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -57.18 -52.13 66.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 110.843 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.54 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 70.420000000000002 110.852 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.83 -57.6 12.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.7 m-85 -95.39 11.12 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 110.851 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.54 29.85 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 110.842 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.515 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.1 tp -76.2 155.83 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.25 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -104.87 94.61 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 65.299999999999997 110.849 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.03 137.97 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 50.350000000000001 111.219 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -111.98 171.95 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 62.420000000000002 110.837 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.05 -39.9 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.129999999999995 110.909 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.95 -33.96 62.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.921 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.12 -48.11 76.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 63.039999999999999 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.02 64.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.44 -24.11 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.109999999999999 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -111.52 13.46 21.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.9 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 80' ' ' TYR . 81.4 mt -122.88 99.16 6.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 61.299999999999997 110.985 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -123.44 -37.73 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -93.08 153.31 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.439999999999998 111.144 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 37' ' ' LEU . 39.0 t -52.61 -52.13 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.087 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -52.92 -40.85 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 70.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -48.96 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.39 -55.02 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.185 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.4 t -55.63 -43.31 76.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.846 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -61.48 -45.92 92.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.0 t80 -62.1 -38.26 88.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.889 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.516 HG22 HD13 ' A' ' 9' ' ' ILE . 80.5 mt -74.67 -35.82 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 111.119 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -65.44 -45.71 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.319999999999993 111.111 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -54.45 -26.62 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 110.83 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HD11 ' A' ' 61' ' ' LEU . 19.9 mmtm -86.71 -55.75 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 70.239999999999995 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.66 56.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 62.210000000000001 110.81 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -72.49 -29.4 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.92 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.4 t0 62.97 45.81 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 61.420000000000002 110.867 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 70.239999999999995 111.135 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.761 0.234 . . . . 74.430000000000007 112.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.1 -169.05 24.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.503 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -130.2 141.37 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 72.209999999999994 110.833 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.3 mmm -75.71 -25.66 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 72.129999999999995 110.898 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.07 147.76 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -64.63 93.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 70.200000000000003 110.897 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -30.15 63.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 63.299999999999997 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.16 -51.93 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.2 mt -72.4 -32.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 72.450000000000003 111.19 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -39.62 63.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.899 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.79 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 53.200000000000003 111.137 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.51 -45.92 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 110.84 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.7 m -64.33 -42.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.299999999999997 111.098 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.54 -37.62 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.923 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -67.97 -35.43 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.540000000000006 110.903 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -75.1 -40.74 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.299999999999997 110.882 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 37' ' ' LEU . 68.9 t -63.29 -51.39 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 75.5 111.105 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.5 mt -49.38 -52.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 62.420000000000002 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.49 -23.03 76.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 43.030000000000001 112.536 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -50.5 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 65.109999999999999 110.832 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.94 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.35 3.79 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.938 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mttm 52.91 92.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.897 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -98.67 168.29 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 110.898 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.6 -179.35 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.319999999999993 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.38 -31.84 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.12 -55.5 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 64.530000000000001 110.873 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.744 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.5 -35.06 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.956 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -73.19 -22.75 60.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -88.98 -28.27 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.945 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -100.95 22.56 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 63.020000000000003 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 153.86 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 110.926 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.52 146.13 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 54.109999999999999 110.861 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.22 -30.41 61.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 55.299999999999997 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -98.14 38.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 111.163 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -127.85 108.93 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 52.310000000000002 111.157 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.12 104.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 71.140000000000001 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.897 HD11 HG22 ' A' ' 74' ' ' VAL . 19.1 mt -66.13 -13.49 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 73.299999999999997 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 -49.35 12.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.519999999999996 111.138 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -85.32 -49.91 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.400000000000006 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.56 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 63.340000000000003 110.897 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HE2' HD22 ' A' ' 37' ' ' LEU . 24.7 m-85 -78.6 -2.76 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.844 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.95 42.97 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.852 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.94 HD21 HD13 ' A' ' 21' ' ' LEU . 45.7 mt -56.96 151.32 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.973 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.06 154.37 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 28.5 p -53.52 -27.1 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.319999999999993 110.843 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.8 -48.68 36.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.230000000000004 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -49.26 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.909 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.06 -45.07 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.865 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 91.0 t -55.54 -55.75 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.126 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -59.77 -30.61 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.8 mt -66.45 -57.98 6.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.1 pt -62.62 -37.09 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.094 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtp -68.0 -41.75 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.863 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -63.42 -52.02 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.89 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CD2' HG12 ' A' ' 13' ' ' VAL . 9.2 mt -62.28 -41.93 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.25 110.973 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.746 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -57.68 -52.22 66.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.439999999999998 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.15 -22.69 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.420000000000002 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -67.51 -55.58 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 76.3 m-85 -92.99 16.21 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.510000000000005 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 52.07 26.58 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.450000000000003 110.878 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.99 165.82 24.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.867 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 93.93 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 110.874 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 56' ' ' GLU . 63.3 mt -99.87 138.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 50.350000000000001 111.17 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.02 -172.8 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.84 -39.35 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.867 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.34 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.13 -36.17 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 63.039999999999999 110.929 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -23.14 62.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.062 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.61 -18.36 59.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 70.109999999999999 110.954 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -111.64 12.01 21.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 77' ' ' ILE . 44.2 mt -122.56 111.12 16.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 61.299999999999997 110.914 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.87 -46.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.519999999999996 110.92 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 p -91.8 159.6 15.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.439999999999998 111.17 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 HD11 ' A' ' 37' ' ' LEU . 25.3 t -58.21 -53.24 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.099999999999994 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.77 -47.25 67.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -58.91 -48.18 82.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.838 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.631 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.4 mt -59.24 -55.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 62.009999999999998 111.181 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.2 t -54.89 -37.46 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.861 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -46.69 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.904 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CB ' HD21 ' A' ' 71' ' ' LEU . 31.5 t80 -61.81 -39.34 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.902 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.668 HG22 HD13 ' A' ' 9' ' ' ILE . 79.6 mt -74.75 -36.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.94 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.134 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -54.44 -26.53 31.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 54.130000000000003 110.828 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -83.55 -29.32 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.917 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -86.09 -172.59 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 62.210000000000001 110.848 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -70.99 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.89 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.9 t0 56.94 45.23 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 61.420000000000002 110.82 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 70.239999999999995 111.124 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.093 0 CA-C-O 120.819 0.258 . . . . 74.430000000000007 112.329 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.26 164.57 13.21 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.753 -0.737 . . . . 71.25 112.514 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -158.63 159.34 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 72.209999999999994 110.813 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.4 -25.6 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.129999999999995 110.886 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -70.13 134.17 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -90.14 111.0 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.200000000000003 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.61 -35.4 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 63.299999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -60.83 -51.27 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 65.319999999999993 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.8 -32.48 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.075 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -40.26 60.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.922 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.86 -31.72 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 53.200000000000003 111.141 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.44 -45.35 39.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.864 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.9 m -66.03 -41.98 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 111.125 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -71.01 -37.45 72.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.901 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.540000000000006 110.875 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 p -74.96 -42.34 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.299999999999997 110.908 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.691 ' HA ' HD21 ' A' ' 51' ' ' LEU . 61.0 t -63.51 -53.24 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 75.5 111.064 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.832 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.5 mt -48.34 -52.4 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.144 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.21 76.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 43.030000000000001 112.482 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.66 -50.9 67.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 65.109999999999999 110.921 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.59 6.44 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 53.409999999999997 110.881 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt 50.05 89.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -92.86 154.87 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.919 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -96.84 -169.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.935 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.17 -50.51 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 110.809 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -61.3 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 64.530000000000001 110.913 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -57.71 -40.37 79.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 110.917 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -72.75 -22.57 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.91 -24.9 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.439999999999998 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.1 pp -101.84 23.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.020000000000003 111.079 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -100.04 149.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -161.21 159.75 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.109999999999999 110.82 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.66 -16.8 61.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 55.299999999999997 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.5 p -111.46 38.96 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 73.140000000000001 111.107 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -129.44 114.42 16.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 52.310000000000002 111.109 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -59.82 106.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 71.140000000000001 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 74' ' ' VAL . 3.2 mp -67.41 -15.1 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.936 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.02 -44.25 12.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.519999999999996 111.085 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.884 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.75 -61.96 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 63.340000000000003 110.857 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -79.05 -2.79 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.888 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.9 t30 51.83 44.09 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.5 110.859 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.081 HD21 HD13 ' A' ' 21' ' ' LEU . 84.8 mt -57.99 153.66 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.350000000000001 110.968 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 156.39 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.882 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.658 ' O ' HG23 ' A' ' 49' ' ' VAL . 14.8 t -54.52 -26.36 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.84 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.86 -44.35 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.230000000000004 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -49.41 71.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.1 -50.19 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 74.219999999999999 110.819 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 45' ' ' SER . 70.9 t -52.47 -51.94 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.109999999999999 111.113 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.54 -31.17 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 71.129999999999995 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.1 mt -68.08 -58.23 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.915 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.45 -38.42 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.179 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.06 -40.08 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.84 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -61.56 -53.42 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.904 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.3 mt -66.07 -38.0 87.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.905 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.07 -51.88 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 62.439999999999998 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.59 -32.26 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 70.420000000000002 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -57.71 -55.65 32.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -97.64 10.48 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.510000000000005 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.57 30.11 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.450000000000003 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.76 155.52 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 74.25 110.932 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -102.55 94.66 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.299999999999997 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -102.41 142.67 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.350000000000001 111.119 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -112.05 -170.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.420000000000002 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.38 -44.12 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.848 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.88 -27.06 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.07 -43.09 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 63.039999999999999 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.83 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 111.05 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.98 45.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 70.109999999999999 110.905 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 13.74 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.908 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.0 mt -127.85 88.76 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 61.299999999999997 110.837 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -118.31 -30.38 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.519999999999996 110.839 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -99.22 160.95 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 111.166 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.79 HG23 HD11 ' A' ' 37' ' ' LEU . 95.5 t -58.86 -45.69 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.432 . . . . 71.099999999999994 111.127 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -60.21 -48.71 80.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.87 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.454 ' HA ' HD22 ' A' ' 71' ' ' LEU . 37.8 mt -60.64 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.009999999999998 111.159 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.8 t -56.39 -40.47 74.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -62.66 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 72.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.625 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.0 t80 -65.43 -38.75 90.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.892 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.456 ' CG2' HG21 ' A' ' 9' ' ' ILE . 78.1 mt -73.88 -35.95 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.450000000000003 111.107 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.74 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 111.096 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -54.38 -27.17 34.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 54.130000000000003 110.888 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HG3' HD11 ' A' ' 61' ' ' LEU . 30.6 mmtt -80.73 -34.25 34.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 70.239999999999995 110.939 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -85.95 -174.29 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 62.210000000000001 110.836 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.6 t -118.91 28.92 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 64.319999999999993 110.881 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 61.93 29.65 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 61.420000000000002 110.836 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 70.239999999999995 111.066 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.465 -0.183 0 CA-C-O 120.878 0.283 . . . . 74.430000000000007 112.417 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.31 176.04 18.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 71.25 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -137.39 96.66 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 72.209999999999994 110.898 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 tpt -90.39 -25.99 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 72.129999999999995 110.855 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.24 155.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 72.329999999999998 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.507 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.6 t -51.25 103.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 70.200000000000003 110.908 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.49 -33.76 74.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 63.299999999999997 110.838 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.11 -49.98 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 65.319999999999993 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.79 -32.32 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 72.450000000000003 111.168 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -51.77 -40.71 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.913 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.52 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 111.093 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.43 -45.89 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 110.913 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.9 m -65.04 -42.78 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 111.16 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.45 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.120000000000005 110.902 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.47 -35.18 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -74.9 -41.89 58.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 37' ' ' LEU . 71.3 t -63.29 -51.32 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.2 mt -49.35 -53.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 62.420000000000002 111.076 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.19 76.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 43.030000000000001 112.536 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -50.21 71.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 65.109999999999999 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 4.71 30.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 110.886 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mttt 51.25 90.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.540000000000006 110.921 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.52 157.64 15.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 71.340000000000003 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -100.71 -175.41 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.21 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.868 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.21 -53.95 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.530000000000001 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -53.36 -41.03 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.917 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -72.73 -24.11 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -87.36 -15.75 36.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.943 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -115.05 22.6 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 63.020000000000003 111.141 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.67 155.32 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.140000000000001 110.953 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.41 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.3 t -157.1 159.14 37.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 54.109999999999999 110.861 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.11 86.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 55.299999999999997 112.51 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -98.19 39.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 73.140000000000001 111.169 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.2 m -126.3 108.42 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 52.310000000000002 111.162 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -55.85 105.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 74' ' ' VAL . 6.8 mt -67.69 -12.44 60.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.931 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.52 -45.19 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.519999999999996 111.085 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -85.32 -51.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 110.935 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -51.22 -63.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.816 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.39 -3.4 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 73.129999999999995 110.859 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 51.6 62.81 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 48.3 mt -72.97 155.42 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 61.350000000000001 110.952 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.07 154.92 18.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.942 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -53.13 -28.35 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 65.319999999999993 110.836 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 mt -72.78 -48.77 35.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.91 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.33 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.896 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.65 -47.66 63.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 45' ' ' SER . 85.3 t -52.11 -52.52 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 111.099 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.3 -31.77 72.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 110.887 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.3 mt -66.41 -58.25 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -58.82 -38.7 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 111.165 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.6 -41.88 78.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.952 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -60.0 -53.53 56.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 73.120000000000005 110.866 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.1 mt -65.2 -38.51 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.75 -52.22 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 62.439999999999998 110.873 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.94 -31.18 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -57.67 -54.71 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.861 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.3 m-85 -100.11 11.47 39.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.425 . . . . 75.510000000000005 110.87 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.65 29.61 5.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 110.902 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.9 tp -75.6 155.72 35.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -104.81 94.59 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 65.299999999999997 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mt -101.62 141.26 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 50.350000000000001 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -112.44 -170.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 110.814 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.55 -42.51 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.129999999999995 110.896 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.54 -31.92 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -57.84 -46.55 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 63.039999999999999 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.26 -22.11 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -24.84 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 70.109999999999999 110.889 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 10.83 20.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 74.450000000000003 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 80' ' ' TYR . 69.4 mt -118.97 96.34 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 61.299999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.12 -37.91 2.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.862 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.5 p -90.54 159.01 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.878 HG22 HD11 ' A' ' 37' ' ' LEU . 98.0 t -58.8 -50.23 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 111.07 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.32 -45.52 80.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 70.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.66 -50.49 70.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.811 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HA ' HD22 ' A' ' 71' ' ' LEU . 28.5 mt -59.73 -55.73 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 111.202 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -57.65 -34.22 69.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.928 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -67.71 -42.28 82.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.666 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.7 t80 -67.89 -38.29 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.93 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 64.4 mt -74.73 -44.03 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.450000000000003 111.223 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -61.81 -46.51 89.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.168 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -26.73 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 54.130000000000003 110.844 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -80.59 -51.36 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 70.239999999999995 110.94 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -52.17 -31.64 32.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 62.210000000000001 110.851 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -55.73 -31.68 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -121.99 62.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 61.420000000000002 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 111.105 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.8 0.25 . . . . 74.430000000000007 112.395 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.14 141.61 15.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.496 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -54.18 105.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 72.209999999999994 110.913 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.5 tpt -61.8 -33.06 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.866 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -73.17 149.12 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.329999999999998 111.11 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.4 m -78.58 90.93 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.200000000000003 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -52.09 -29.96 23.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 63.299999999999997 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.3 -52.59 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.319999999999993 110.905 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.781 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.71 -33.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 111.098 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -52.4 -40.01 61.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.08 -31.38 68.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 53.200000000000003 111.043 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.69 -44.72 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.200000000000003 110.923 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.4 m -65.32 -41.71 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.299999999999997 111.191 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.34 -38.43 68.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 73.120000000000005 110.894 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.03 -36.19 81.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 72.540000000000006 110.855 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -74.02 -49.28 25.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.846 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 HD22 ' A' ' 51' ' ' LEU . 72.3 t -56.46 -51.01 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.5 111.069 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.818 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.8 mt -47.88 -50.22 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 62.420000000000002 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.38 73.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.711 . . . . 43.030000000000001 112.487 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -64.52 -49.82 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 65.109999999999999 110.891 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.899 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.57 3.1 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.409999999999997 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 89.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.87 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -90.65 166.69 13.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.948 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -112.37 -171.63 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -34.3 77.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.833 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.12 -49.44 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 64.530000000000001 110.825 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 23' ' ' LEU . 7.3 mm100 -59.42 -43.71 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 74.329999999999998 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.02 -24.38 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.39 -29.12 23.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.439999999999998 110.969 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.31 20.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.194 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.7 154.67 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 110.869 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.439 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.6 158.17 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.58 -31.01 78.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 55.299999999999997 112.511 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 p -99.6 38.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 73.140000000000001 111.118 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -125.42 106.5 9.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 52.310000000000002 111.165 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -53.8 104.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.140000000000001 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 74' ' ' VAL . 19.6 mt -67.12 -12.86 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 73.299999999999997 110.914 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.25 -47.61 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.109 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -50.79 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -64.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 63.340000000000003 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' HE2' HD22 ' A' ' 37' ' ' LEU . 34.3 m-85 -78.82 -2.49 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 110.873 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 t30 52.37 43.27 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 21' ' ' LEU . 36.9 mt -54.9 146.63 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 61.350000000000001 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.17 155.85 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 75.239999999999995 110.879 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.9 p -54.9 -26.84 38.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.906 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 mt -72.88 -48.79 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -48.85 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 110.878 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -53.43 -41.91 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.861 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 45' ' ' SER . 98.3 t -58.06 -54.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.128 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.16 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.891 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.07 -58.59 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.919 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -61.18 -38.87 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.122 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 mtp -68.13 -40.9 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.901 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -61.63 -52.66 63.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 73.120000000000005 110.84 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.3 mt -66.67 -37.06 83.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.933 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -57.89 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.439999999999998 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.44 -32.66 68.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -58.03 -59.79 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.530000000000001 110.85 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.7 m-85 -93.32 10.34 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 75.510000000000005 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.76 29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.450000000000003 110.905 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.51 HD21 ' CE1' ' A' ' 80' ' ' TYR . 59.2 tp -75.04 156.42 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 74.25 110.917 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.78 94.61 5.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 65.299999999999997 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.54 142.32 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 50.350000000000001 111.156 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -111.09 -171.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 110.871 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.87 -37.07 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.869 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -74.91 -40.41 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -53.35 -48.5 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 63.039999999999999 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.79 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 111.096 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -21.31 54.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.904 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -18.04 13.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 77' ' ' ILE . 79.1 mt -86.45 94.03 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 61.299999999999997 110.904 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 73' ' ' THR . 10.4 pt-20 -119.8 -33.08 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.955 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 72' ' ' GLU . 39.5 p -96.39 153.94 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 111.116 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.894 HG22 HD11 ' A' ' 37' ' ' LEU . 26.3 t -55.47 -51.95 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 71.099999999999994 111.08 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -52.75 -49.78 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.73 -49.5 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.3 mt -59.43 -55.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.009999999999998 111.106 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.23 -43.46 78.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.879 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.96 -42.86 95.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.51 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.4 t80 -64.94 -40.8 95.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 110.967 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 9' ' ' ILE . 83.6 mt -71.49 -35.82 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 75.450000000000003 111.146 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -69.42 -46.6 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 74.319999999999993 111.097 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -54.28 -26.78 31.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 54.130000000000003 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HG3' HD11 ' A' ' 61' ' ' LEU . 23.0 mmtm -82.75 -35.02 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 70.239999999999995 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -71.21 -170.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 62.210000000000001 110.855 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 p -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.834 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 58.83 31.07 20.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 61.420000000000002 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 111.127 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.85 0.271 . . . . 74.430000000000007 112.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.87 -162.04 32.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 71.25 112.46 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -134.34 35.12 3.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.9 0.381 . . . . 72.209999999999994 110.847 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.0 mtm -85.0 -40.47 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.817 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.75 144.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.329999999999998 111.116 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -85.96 106.15 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.200000000000003 110.86 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.17 -34.05 73.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 63.299999999999997 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.42 -51.32 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.863 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.806 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.66 -32.13 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.450000000000003 111.101 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -51.21 -40.57 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.74 -31.79 69.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 53.200000000000003 111.107 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -75.3 -45.55 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.6 m -65.79 -42.21 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.299999999999997 111.167 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.454 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -70.83 -37.2 73.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 110.877 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.56 -35.15 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.540000000000006 110.868 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -75.0 -42.15 58.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.82 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.698 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.0 t -63.86 -51.62 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.075 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.1 mt -49.45 -52.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.19 75.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.722 . . . . 43.030000000000001 112.455 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -50.58 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 65.109999999999999 110.905 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.42 5.04 31.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.933 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.01 91.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 110.957 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -97.33 169.4 9.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -115.97 -175.09 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.924 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.05 -35.74 81.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.848 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.63 -48.0 43.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.908 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' LEU . 40.2 mm-40 -58.74 -34.32 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.329999999999998 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -74.8 -22.54 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.09 -30.39 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 pp -93.66 18.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 63.020000000000003 111.162 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -96.86 155.69 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.140000000000001 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.609 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.08 159.68 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.109999999999999 110.839 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.36 -19.06 63.91 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 55.299999999999997 112.546 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.3 p -113.73 38.98 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 73.140000000000001 111.124 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -123.49 110.7 15.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 52.310000000000002 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -55.35 104.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 74' ' ' VAL . 2.8 mp -67.98 -14.63 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.299999999999997 110.925 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.21 -44.25 14.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.099 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -84.59 -51.7 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.400000000000006 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.28 -63.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.86 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -78.77 -3.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.951 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t30 52.7 46.52 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.5 110.868 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 81.0 mt -60.24 154.17 20.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 110.882 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.89 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.7 t -53.42 -27.76 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 65.319999999999993 110.838 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.21 -49.09 29.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.955 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -50.15 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.875 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.54 -49.1 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 87.9 t -53.15 -51.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 111.13 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -31.3 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.848 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.4 mt -67.63 -58.4 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.956 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 pt -58.25 -38.31 67.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 111.167 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -69.44 -39.66 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.86 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 t -61.34 -53.7 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -66.21 -38.84 88.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.858 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.17 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 62.439999999999998 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.84 -31.84 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.420000000000002 110.848 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -57.17 -55.24 37.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 110.87 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.806 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.4 m-85 -99.36 11.28 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.817 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t 51.58 29.59 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.86 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 84' ' ' LYS . 64.3 tp -75.41 155.63 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -103.78 94.56 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 65.299999999999997 110.897 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.95 139.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 50.350000000000001 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -112.49 -171.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.67 -35.2 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.859 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.0 -41.62 59.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -55.72 -53.05 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 110.853 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.16 -22.63 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 111.099 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -20.43 50.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 70.109999999999999 110.869 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -17.61 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 110.892 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 77' ' ' ILE . 93.2 mt -86.14 92.11 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' OE1' HG23 ' A' ' 73' ' ' THR . 2.4 pp20? -122.65 -4.89 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.519999999999996 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.531 HG23 ' OE1' ' A' ' 72' ' ' GLU . 1.4 p -123.2 154.81 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.147 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 37' ' ' LEU . 95.4 t -55.77 -54.33 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 71.099999999999994 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.75 -46.31 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.64 -50.45 72.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 110.879 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.699 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.0 mt -58.43 -55.82 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 111.088 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.8 t -58.07 -42.84 86.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.472 . . . . 72.239999999999995 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -59.78 -39.4 84.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.544 ' HB2' HD21 ' A' ' 71' ' ' LEU . 35.7 t80 -69.05 -41.35 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.955 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 9' ' ' ILE . 77.3 mt -70.52 -36.91 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 75.450000000000003 111.134 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.06 69.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 74.319999999999993 111.074 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.3 t -54.65 -26.71 34.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 54.130000000000003 110.796 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG3' HD11 ' A' ' 61' ' ' LEU . 56.0 mmtt -78.41 -44.48 24.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 70.239999999999995 110.902 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -56.39 -54.15 48.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.210000000000001 110.858 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t -55.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.319999999999993 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.79 167.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 61.420000000000002 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 70.239999999999995 111.051 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.778 0.241 . . . . 74.430000000000007 112.41 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.89 121.75 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 71.25 112.472 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -171.78 136.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 72.209999999999994 110.823 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.3 tpt -57.03 -25.29 58.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.129999999999995 110.839 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.16 149.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.329999999999998 111.094 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -84.36 104.25 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.200000000000003 110.864 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.49 -33.7 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.299999999999997 110.798 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.04 -51.42 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.846 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.4 mt -72.75 -32.19 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.097 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -51.76 -40.17 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.07 -31.69 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 53.200000000000003 111.056 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.43 -45.06 41.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 110.869 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.0 m -66.15 -42.08 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.299999999999997 111.155 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.418 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -71.02 -37.39 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 73.120000000000005 110.89 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.874 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 t -74.92 -41.94 58.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.958 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.69 ' HA ' HD21 ' A' ' 51' ' ' LEU . 64.2 t -63.87 -52.75 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 75.5 111.145 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 49.2 mt -48.83 -51.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.2 75.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 43.030000000000001 112.555 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -64.16 -50.63 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 65.109999999999999 110.843 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.994 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.82 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 53.409999999999997 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 52.79 92.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.540000000000006 110.881 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -99.46 175.0 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 71.340000000000003 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -118.47 -176.34 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.319999999999993 110.887 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.78 -33.36 75.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 64.319999999999993 110.838 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.29 -49.73 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 64.530000000000001 110.896 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 23' ' ' LEU . 11.0 mm100 -54.11 -27.78 35.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.329999999999998 110.917 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -74.76 -32.02 61.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 73.129999999999995 110.866 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.64 -51.0 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 72.439999999999998 110.879 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.86 -27.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.020000000000003 111.152 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 12.4 tp -52.19 158.97 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 64.140000000000001 110.865 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.24 159.54 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 54.109999999999999 110.879 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.76 -13.71 59.51 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 55.299999999999997 112.519 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.9 p -121.07 38.73 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.140000000000001 111.151 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -125.36 108.8 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 52.310000000000002 111.096 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.48 105.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD11 HG23 ' A' ' 74' ' ' VAL . 4.0 mp -68.1 -14.91 63.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 -44.42 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 74.519999999999996 111.074 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -84.32 -50.64 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.968 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.59 -62.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.847 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.457 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 26.7 m-85 -78.75 -7.54 57.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.03 37.16 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.994 HD21 HD13 ' A' ' 21' ' ' LEU . 72.1 mt -51.44 151.0 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 61.350000000000001 110.913 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 156.61 16.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.239999999999995 110.916 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.5 m -53.46 -27.32 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 65.319999999999993 110.906 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 mt -73.0 -48.82 33.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 75.230000000000004 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -50.3 73.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.875 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.05 -49.95 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 74.219999999999999 110.893 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 45' ' ' SER . 83.6 t -52.28 -52.15 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 75.109999999999999 111.129 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 110.943 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.3 mt -67.99 -58.21 4.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 pt -58.53 -38.18 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 111.113 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -69.21 -38.54 78.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.86 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -63.18 -53.28 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.120000000000005 110.877 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.0 mt -66.44 -37.37 85.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.47 -51.91 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.439999999999998 110.911 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.81 -31.31 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.01 -56.55 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.811 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.53 10.5 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.510000000000005 110.875 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 t 51.65 29.55 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.450000000000003 110.894 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 84' ' ' LYS . 62.3 tp -76.11 156.01 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.39 94.6 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.943 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.83 138.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 50.350000000000001 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.45 159.09 19.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 62.420000000000002 110.806 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.06 -36.61 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 74.129999999999995 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.04 -38.02 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.91 -37.5 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 63.039999999999999 110.85 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.25 -23.14 62.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 111.031 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -60.24 -19.79 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.109999999999999 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -111.05 10.87 22.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.450000000000003 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 80' ' ' TYR . 58.3 mt -122.87 94.64 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 61.299999999999997 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.1 -36.83 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.863 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 p -92.14 164.24 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.439999999999998 111.165 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.752 HG23 HD11 ' A' ' 37' ' ' LEU . 92.4 t -61.79 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.099999999999994 111.155 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.76 -43.47 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -50.56 73.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.519999999999996 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.608 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.2 mt -62.07 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 62.009999999999998 111.093 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.19 -42.02 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.898 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -60.47 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.608 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.6 t80 -57.68 -41.79 82.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.129999999999995 110.88 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 9' ' ' ILE . 79.8 mt -70.67 -35.8 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 75.450000000000003 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -27.49 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 54.130000000000003 110.789 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.0 mmtt -80.23 -57.67 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.883 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -52.11 -30.16 24.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 62.210000000000001 110.893 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -64.38 -37.87 89.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.821 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -175.99 155.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 61.420000000000002 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 70.239999999999995 111.08 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.785 0.244 . . . . 74.430000000000007 112.255 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.58 -53.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 71.25 112.416 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -57.5 168.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 72.209999999999994 110.841 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.7 mmt -66.28 -51.96 52.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.129999999999995 110.869 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 79' ' ' ARG . 21.7 t -80.47 136.18 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 72.329999999999998 111.092 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.46 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 32.8 t -89.64 102.36 15.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 70.200000000000003 110.864 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -51.81 -39.15 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 63.299999999999997 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.04 -51.12 68.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.319999999999993 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.787 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.61 -32.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.113 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -39.85 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 110.897 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.11 -31.66 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 53.200000000000003 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.64 -44.98 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.969 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.8 m -65.57 -41.5 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 71.299999999999997 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -72.42 -37.81 68.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.868 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -67.83 -35.76 79.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 72.540000000000006 110.913 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -74.84 -48.14 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.825 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.7 HG22 HD22 ' A' ' 51' ' ' LEU . 77.2 t -57.43 -52.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.817 ' HA ' HD23 ' A' ' 23' ' ' LEU . 56.0 mt -47.93 -48.99 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.142 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.7 -23.13 73.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 43.030000000000001 112.551 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.712 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.2 t -65.42 -49.34 69.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 65.109999999999999 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.34 2.3 31.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.937 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 51.87 91.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.891 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -95.19 156.13 16.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -98.62 -169.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -47.24 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.867 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.69 -45.03 94.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.3 mp0 -57.4 -38.65 74.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -72.41 -23.46 61.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -88.08 -26.61 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -102.42 23.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 63.020000000000003 111.104 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.75 153.2 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 64.140000000000001 110.898 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -157.0 154.77 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 54.109999999999999 110.877 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.705 -0.759 . . . . 55.299999999999997 112.518 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -97.71 38.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 73.140000000000001 111.091 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -124.75 106.58 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 52.310000000000002 111.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -53.72 105.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.140000000000001 110.844 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 74' ' ' VAL . 18.4 mt -66.55 -13.41 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.964 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.8 -49.11 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 111.082 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -84.96 -50.48 7.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.28 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.8 m-85 -78.84 -2.47 39.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.907 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 53.77 38.91 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.926 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 21' ' ' LEU . 50.1 mt -51.95 146.7 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 61.350000000000001 110.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.78 155.41 21.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.904 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.718 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.9 t -54.18 -26.54 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.319999999999993 110.889 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 mt -73.1 -49.08 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.927 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.33 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.340000000000003 110.86 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.34 -42.44 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 45' ' ' SER . 95.3 t -57.7 -54.13 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 75.109999999999999 111.151 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.38 -28.38 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 110.879 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.7 HD22 HG22 ' A' ' 17' ' ' VAL . 10.2 mt -66.06 -58.57 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.926 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 pt -61.7 -38.38 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 111.096 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -68.28 -41.6 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.859 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -61.22 -53.68 53.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.843 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -65.23 -36.91 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 75.25 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.1 -51.57 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 62.439999999999998 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.47 -31.28 66.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 70.420000000000002 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.36 -58.01 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.530000000000001 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.6 m-85 -94.91 10.21 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.510000000000005 110.863 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 t 51.68 29.68 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.7 tp -75.83 155.97 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.868 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.63 94.56 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 65.299999999999997 110.943 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -101.76 138.77 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 50.350000000000001 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -178.55 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.96 -48.39 63.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 74.129999999999995 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.91 -39.76 94.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.902 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.92 -50.37 70.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.039999999999999 110.866 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.1 -22.74 64.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.03 -21.97 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.109999999999999 110.912 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 -18.56 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 77' ' ' ILE . 89.5 mt -85.62 89.65 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.15 -36.02 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 73.519999999999996 110.79 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 p -94.64 150.96 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.439999999999998 111.225 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.843 HG22 HD11 ' A' ' 37' ' ' LEU . 34.6 t -54.7 -50.84 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 71.099999999999994 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -52.62 -47.01 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 70.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.73 -48.9 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.724 ' HA ' HD22 ' A' ' 71' ' ' LEU . 30.4 mt -58.23 -55.71 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 62.009999999999998 111.117 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.2 t -56.41 -42.0 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -61.22 -41.71 97.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.829 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.3 t80 -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.924 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.494 HG22 HD13 ' A' ' 9' ' ' ILE . 83.8 mt -72.41 -36.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.450000000000003 111.105 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.1 -45.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 111.039 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 t -54.48 -27.16 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 54.130000000000003 110.816 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.7 mmtt -81.44 -52.69 6.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.239999999999995 110.876 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -52.83 -30.28 32.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 62.210000000000001 110.854 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.9 m -79.43 -58.07 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 64.319999999999993 110.862 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -133.74 120.26 20.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 61.420000000000002 110.871 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 70.239999999999995 111.09 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.107 0 CA-C-O 120.753 0.23 . . . . 74.430000000000007 112.284 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.41 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 71.25 112.5 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -81.85 148.99 28.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 72.209999999999994 110.822 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -52.36 -30.66 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.85 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.55 147.68 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 111.096 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.0 t -79.03 91.5 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 70.200000000000003 110.879 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -51.96 -30.09 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 63.299999999999997 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.41 -52.37 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.319999999999993 110.82 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.59 -32.6 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -40.75 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.64 -31.33 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 53.200000000000003 111.073 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -75.22 -46.67 32.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 75.200000000000003 110.899 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.5 m -63.83 -43.48 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 71.299999999999997 111.121 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.84 -37.71 76.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 73.120000000000005 110.849 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.68 -35.51 78.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.540000000000006 110.923 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -74.78 -40.84 60.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 73.299999999999997 110.828 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 13' ' ' VAL . 73.7 t -63.47 -52.73 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.5 111.13 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.9 mt -48.47 -52.71 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 62.420000000000002 111.146 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.16 -23.2 76.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 43.030000000000001 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.06 -50.71 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.388 . . . . 65.109999999999999 110.887 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.884 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.32 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 53.409999999999997 110.886 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 51.61 90.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.540000000000006 110.92 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.87 162.04 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.340000000000003 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -113.97 -179.01 3.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.918 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.04 -49.45 66.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 64.319999999999993 110.871 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.37 -55.02 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 64.530000000000001 110.864 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.9 mm100 -57.44 -43.76 84.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -67.62 -23.76 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.129999999999995 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.78 -29.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.953 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.26 22.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 63.020000000000003 111.178 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.73 153.57 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 64.140000000000001 110.864 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -158.04 158.71 35.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 54.109999999999999 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.51 -34.59 90.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 55.299999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -96.65 39.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 73.140000000000001 111.126 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.36 107.95 11.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 52.310000000000002 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -54.2 105.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 74' ' ' VAL . 9.0 mt -67.36 -12.63 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.299999999999997 110.907 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.68 -46.27 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.095 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -51.53 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.9 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -50.65 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.340000000000003 110.901 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -78.76 -2.88 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.9 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 51.92 46.43 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 74.5 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.884 HD21 HD13 ' A' ' 21' ' ' LEU . 31.3 mt -58.23 155.0 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 61.350000000000001 110.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 156.91 16.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.864 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 t -54.62 -26.69 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.852 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.84 -48.73 35.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.922 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -49.3 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.340000000000003 110.846 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -51.9 -48.34 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.219999999999999 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 45' ' ' SER . 98.1 t -54.22 -52.21 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 111.074 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.67 -30.34 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.914 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -68.26 -58.08 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.319999999999993 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.14 -38.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 111.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.75 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.855 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -61.46 -53.37 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.120000000000005 110.864 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.17 -38.29 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.861 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -57.3 -51.89 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.439999999999998 110.849 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.62 -30.44 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 70.420000000000002 110.912 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.47 -58.54 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 74.530000000000001 110.836 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.5 m-85 -94.66 10.83 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.510000000000005 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 51.82 29.69 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.822 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.2 tp -75.73 155.44 35.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.948 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -103.96 94.67 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.87 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.29 142.59 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.068 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.38 -172.39 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 62.420000000000002 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -78.56 -41.81 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.129999999999995 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.98 -31.1 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.310000000000002 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.86 -45.64 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 63.039999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.29 -23.14 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -19.39 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 70.109999999999999 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -111.33 9.82 21.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 80' ' ' TYR . 71.2 mt -122.35 90.84 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 61.299999999999997 110.899 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -117.6 -30.72 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.519999999999996 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 72.439999999999998 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.974 HG22 HD11 ' A' ' 37' ' ' LEU . 29.6 t -58.66 -54.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 71.099999999999994 111.167 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.84 -48.92 66.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 70.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.89 -50.36 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -59.64 -55.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 62.009999999999998 111.113 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.85 -40.4 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.239999999999995 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.41 -46.28 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 71' ' ' LEU . 37.3 t80 -62.36 -39.29 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.971 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 71.8 mt -73.2 -35.96 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 111.125 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -71.01 -46.78 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.115 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -54.54 -27.04 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 54.130000000000003 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 46.0 mmtt -77.69 -45.86 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -53.66 -53.73 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 62.210000000000001 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -52.36 -51.46 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 64.319999999999993 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -79.39 64.66 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 61.420000000000002 110.873 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 111.104 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.11 0 CA-C-O 120.754 0.231 . . . . 74.430000000000007 112.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.4 132.95 3.09 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 71.25 112.466 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -155.38 112.26 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 72.209999999999994 110.864 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.5 mmt -90.49 -25.71 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 72.129999999999995 110.946 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.01 -177.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 111.141 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.492 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 22.2 t -61.66 95.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.846 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -52.35 -32.31 37.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 63.299999999999997 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.78 -50.94 71.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 65.319999999999993 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.7 -32.15 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 111.138 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -51.23 -40.64 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 110.871 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 53.200000000000003 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.19 -46.36 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.898 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.7 m -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.097 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.08 -37.43 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 73.120000000000005 110.884 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.94 -36.02 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 72.540000000000006 110.894 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -74.98 -40.39 60.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.299999999999997 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 37' ' ' LEU . 63.2 t -63.64 -52.24 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.5 111.111 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.8 mt -48.61 -52.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 62.420000000000002 111.178 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.12 76.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 43.030000000000001 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.9 -51.15 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.109999999999999 110.903 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 5.34 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 53.409999999999997 110.911 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt 50.41 89.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.897 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -92.66 149.45 21.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 71.340000000000003 110.847 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -92.99 177.02 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.897 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -33.71 66.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.319999999999993 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.1 -54.03 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 64.530000000000001 110.871 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -56.58 -33.43 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.929 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -73.57 -23.63 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.877 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -88.22 -32.85 18.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.887 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -95.46 22.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 63.020000000000003 111.14 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -94.43 154.45 17.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 64.140000000000001 110.955 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.54 153.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 54.109999999999999 110.909 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.65 89.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.676 -0.773 . . . . 55.299999999999997 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -94.19 38.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 73.140000000000001 111.134 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -125.7 106.16 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 52.310000000000002 111.202 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -53.39 105.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 74' ' ' VAL . 17.1 mt -67.45 -12.34 60.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 73.299999999999997 110.949 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.83 -46.4 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.519999999999996 111.128 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -84.95 -52.06 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.400000000000006 110.913 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.36 -63.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 63.340000000000003 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -78.79 -2.89 41.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.129999999999995 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 51.95 44.97 29.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.912 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 21' ' ' LEU . 31.8 mt -56.97 146.67 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.907 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -85.53 155.02 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.91 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.693 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.3 m -54.05 -27.17 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 65.319999999999993 110.858 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.63 -43.08 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -48.58 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.858 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -51.83 -50.57 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.85 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 45' ' ' SER . 97.9 t -52.03 -51.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 111.139 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -31.09 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.87 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.9 mt -68.59 -58.09 4.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 110.948 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.13 -38.91 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.061 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.56 -41.46 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.239999999999995 110.924 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.906 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.9 mt -65.82 -37.98 87.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.942 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.23 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 62.439999999999998 110.888 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.86 -32.5 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.855 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.78 -57.38 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.855 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.1 m-85 -95.47 11.1 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m 51.77 29.08 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.931 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.504 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.5 tp -76.47 156.29 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.09 94.49 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.872 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.75 132.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 50.350000000000001 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.58 158.94 19.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 62.420000000000002 110.834 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.75 -33.35 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.129999999999995 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.0 -34.58 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.310000000000002 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -70.47 -39.71 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.039999999999999 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.95 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 75.140000000000001 111.105 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.38 -19.76 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 70.109999999999999 110.94 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.71 13.0 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -120.0 111.15 17.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.402 . . . . 61.299999999999997 110.985 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.6 -48.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.519999999999996 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.5 p -82.34 155.12 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.439999999999998 111.085 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.891 HG22 HD11 ' A' ' 37' ' ' LEU . 40.7 t -57.45 -48.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 71.099999999999994 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -54.69 -53.68 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.22 -50.44 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.519999999999996 110.817 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.48 -55.6 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 62.009999999999998 111.154 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.85 -32.4 69.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 110.839 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -68.43 -39.12 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.7 t80 -71.87 -39.33 69.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 9' ' ' ILE . 61.9 mt -74.52 -40.22 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 75.450000000000003 111.145 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.0 -46.01 79.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.139 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -54.58 -26.74 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 54.130000000000003 110.792 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -86.55 -57.01 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.911 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.428 ' HB2' HD11 ' A' ' 9' ' ' ILE . 2.3 m -93.23 43.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 62.210000000000001 110.855 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -73.49 -45.14 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.319999999999993 110.829 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.69 155.86 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 61.420000000000002 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 70.239999999999995 111.136 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.822 0.259 . . . . 74.430000000000007 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.19 75.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.748 -0.739 . . . . 71.25 112.444 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -146.85 142.96 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.209999999999994 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.27 -29.78 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.129999999999995 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.93 146.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 111.101 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.505 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 23.2 t -119.29 107.67 13.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 70.200000000000003 110.837 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.92 -39.31 58.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 63.299999999999997 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -50.36 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 65.319999999999993 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.808 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.1 mt -72.64 -32.4 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -50.96 -41.1 58.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.030000000000001 110.873 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.44 -31.46 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 53.200000000000003 111.172 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.11 -47.08 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.3 m -63.62 -43.38 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 71.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.9 -37.6 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.851 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.65 -35.53 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 72.540000000000006 110.895 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -74.92 -40.93 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 73.299999999999997 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.679 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.2 t -63.42 -52.32 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.5 111.119 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 34.0 mt -48.59 -53.03 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 62.420000000000002 111.155 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 -23.17 76.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.417 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.418 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.15 -51.02 68.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.874 0.369 . . . . 65.109999999999999 110.859 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.33 6.1 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 53.409999999999997 110.937 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.01 90.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.971 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.47 164.27 12.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.99 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -111.09 -176.08 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.899 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.15 -38.88 88.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.874 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 64.530000000000001 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.2 mp0 -58.85 -41.3 86.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 74.329999999999998 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -70.12 -23.06 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.821 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.96 -29.23 20.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 72.439999999999998 110.898 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -99.56 23.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.020000000000003 111.12 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -98.25 158.39 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.892 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.4 t -159.26 158.96 33.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.861 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.15 -24.07 71.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 55.299999999999997 112.506 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 p -106.49 39.04 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 73.140000000000001 111.129 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -124.51 115.83 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 52.310000000000002 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.15 105.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 71.140000000000001 110.936 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.961 HD11 HG22 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -67.69 -12.96 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.299999999999997 110.917 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.91 -45.0 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.519999999999996 111.078 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -84.36 -51.68 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.400000000000006 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.36 -62.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.843 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 37' ' ' LEU . 25.6 m-85 -78.85 -3.03 42.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.958 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.89 38.74 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.5 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 47.8 mt -51.53 148.34 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 61.350000000000001 110.899 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.82 157.13 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 75.239999999999995 110.88 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 t -55.16 -25.88 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.835 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.03 -48.88 32.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 110.876 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -49.68 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.72 -47.66 63.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.885 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 45' ' ' SER . 93.1 t -52.74 -52.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -31.34 71.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -66.81 -58.3 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 110.908 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -59.27 -38.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 111.15 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 mtp -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.851 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.72 -53.46 57.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.120000000000005 110.888 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.5 mt -65.39 -37.68 87.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.18 -52.07 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 110.878 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.7 -31.03 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 70.420000000000002 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.43 -57.47 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.530000000000001 110.877 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.07 11.51 33.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.905 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.34 30.35 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.6 tp -76.6 155.57 33.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.25 94.7 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.892 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 mt -104.02 139.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 50.350000000000001 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.11 179.64 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.86 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.76 -36.56 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.129999999999995 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.3 -42.21 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.783 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.2 -32.45 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 63.039999999999999 110.873 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.1 62.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.140000000000001 111.105 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.19 -18.75 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.862 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.99 8.82 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.937 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.82 HD22 ' HA ' ' A' ' 77' ' ' ILE . 80.5 mt -117.11 88.21 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 61.299999999999997 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.42 -37.49 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.962 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -95.84 158.4 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 111.132 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.961 HG22 HD11 ' A' ' 37' ' ' LEU . 86.2 t -58.28 -55.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.099999999999994 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.69 -42.05 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 70.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -49.65 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 73.519999999999996 110.802 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.82 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.4 mt -59.25 -55.71 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 111.148 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.71 -34.93 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.239999999999995 110.907 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -40.42 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CB ' HD21 ' A' ' 71' ' ' LEU . 36.2 t80 -69.18 -39.65 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.939 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 9' ' ' ILE . 82.1 mt -73.36 -48.33 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 75.450000000000003 111.116 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -60.32 -45.24 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.095 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -54.67 -26.81 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 54.130000000000003 110.854 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.4 mmtt -79.68 -37.38 35.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 110.896 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -60.96 -73.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.210000000000001 110.765 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 t -56.64 -74.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.813 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 102.98 4.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 61.420000000000002 110.837 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.239999999999995 111.116 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.258 . . . . 74.430000000000007 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.8 63.97 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.784 -0.722 . . . . 71.25 112.524 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -122.76 175.03 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 72.209999999999994 110.844 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.1 mmm -58.39 -30.55 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.83 149.98 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 111.159 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -86.31 99.42 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.200000000000003 110.86 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.02 -38.6 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 63.299999999999997 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -51.18 67.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.835 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.54 -32.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.450000000000003 111.156 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -40.67 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.913 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.37 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 53.200000000000003 111.086 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.3 -46.49 33.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.200000000000003 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.0 m -64.32 -42.83 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 111.197 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.56 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 110.87 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -68.32 -34.97 77.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.540000000000006 110.862 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -74.97 -42.59 57.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.299999999999997 110.925 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.688 ' HA ' HD21 ' A' ' 51' ' ' LEU . 71.0 t -62.99 -51.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.148 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.826 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.6 mt -49.45 -53.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.95 -23.2 76.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.537 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -50.26 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 65.109999999999999 110.864 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.52 5.52 31.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 53.409999999999997 110.957 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 50.91 89.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.05 164.79 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -111.15 -176.62 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.319999999999993 110.928 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.42 -40.32 90.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 64.319999999999993 110.903 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.62 -48.55 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 64.530000000000001 110.857 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.794 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.1 mm100 -58.65 -34.05 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.91 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -74.56 -22.88 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.129999999999995 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -89.0 -30.28 18.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -96.55 24.15 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.117 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -101.43 155.08 18.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 64.140000000000001 110.925 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.42 159.49 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 54.109999999999999 110.831 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.75 93.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 55.299999999999997 112.514 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.2 p -94.65 38.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 111.133 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -123.55 129.35 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 52.310000000000002 111.182 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.23 104.69 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -69.9 -15.28 63.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 110.889 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.06 -42.3 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 111.096 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -84.76 -52.29 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.903 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.46 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 63.340000000000003 110.872 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -78.88 -3.03 42.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.829 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 51.99 46.91 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.905 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 21' ' ' LEU . 67.5 mt -57.69 150.6 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 61.350000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.07 155.55 19.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.879 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 p -53.83 -27.52 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.99 -48.83 33.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 75.230000000000004 110.936 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -49.92 73.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 110.927 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.14 -47.77 65.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 96.5 t -53.31 -52.31 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.109999999999999 111.119 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.78 -31.41 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.6 mt -66.66 -58.23 5.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.921 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 pt -59.1 -38.01 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 111.144 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.1 -39.2 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.897 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 t -62.81 -53.37 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 110.892 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 63' ' ' ILE . 34.2 tt0 -58.2 -51.96 67.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 62.439999999999998 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.52 -30.7 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.420000000000002 110.884 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.68 -56.88 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.5 m-85 -96.38 10.8 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t 51.09 30.71 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.903 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -76.35 155.19 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.888 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.84 94.66 5.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.928 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 56' ' ' GLU . 61.3 mt -99.59 143.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 50.350000000000001 111.103 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.49 -170.68 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.862 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -78.71 -44.75 22.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 75.310000000000002 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -57.46 -46.05 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 63.039999999999999 110.868 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.99 64.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 75.140000000000001 111.037 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.48 -22.62 44.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 70.109999999999999 110.91 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 13.9 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.885 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.2 mt -127.77 108.67 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.908 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -137.07 -41.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.519999999999996 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.41 ' HA ' HD22 ' A' ' 37' ' ' LEU . 22.2 p -88.52 157.03 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 72.439999999999998 111.141 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 37' ' ' LEU . 59.6 t -54.8 -40.52 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.099999999999994 111.091 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.04 -55.18 24.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 70.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.02 -50.42 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 110.884 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.27 -55.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 62.009999999999998 111.083 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.09 -40.73 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.18 -50.11 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HB2' HD21 ' A' ' 71' ' ' LEU . 39.4 t80 -58.56 -39.39 80.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.429 HG22 HD13 ' A' ' 9' ' ' ILE . 79.8 mt -73.25 -35.89 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.450000000000003 111.142 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 -46.14 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.319999999999993 111.09 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -54.35 -27.34 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 54.130000000000003 110.874 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HG3' HD11 ' A' ' 61' ' ' LEU . 50.0 mmtt -80.3 -33.06 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.239999999999995 110.877 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -78.93 -171.68 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 62.210000000000001 110.918 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.3 p -100.65 30.49 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 64.319999999999993 110.867 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -55.58 144.69 25.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 61.420000000000002 110.926 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.239999999999995 111.117 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.256 . . . . 74.430000000000007 112.354 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.06 -59.32 10.63 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 71.25 112.454 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -58.3 170.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 72.209999999999994 110.881 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.52 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 110.862 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.5 t -52.01 140.59 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 72.329999999999998 111.168 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.4 t -100.65 106.13 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.200000000000003 110.891 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -52.66 -37.09 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.299999999999997 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.36 -50.81 72.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 65.319999999999993 110.946 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.795 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.5 mt -72.76 -32.36 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.121 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -51.4 -40.37 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.895 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.93 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.200000000000003 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.71 -44.98 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.200000000000003 110.96 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.0 m -65.05 -41.55 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.299999999999997 111.187 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.61 -38.16 67.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.772 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.94 -35.92 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 72.540000000000006 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -74.98 -48.94 21.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 110.825 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.73 HG22 HD22 ' A' ' 51' ' ' LEU . 78.9 t -56.57 -50.3 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.5 111.179 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 47.3 mt -47.97 -51.54 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 62.420000000000002 111.166 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.88 -23.2 75.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 43.030000000000001 112.506 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.71 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.8 t -63.97 -50.79 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 65.109999999999999 110.845 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.75 4.63 32.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 53.409999999999997 110.926 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 49.62 89.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.540000000000006 110.914 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.35 167.09 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.879 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.42 -174.73 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 110.915 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.48 -38.17 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.319999999999993 110.872 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.43 -46.38 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.530000000000001 110.921 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.776 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.5 mm100 -61.87 -36.62 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.89 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.1 -23.78 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.918 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -88.44 -28.9 20.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.439999999999998 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -99.4 21.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.020000000000003 111.14 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -97.11 151.43 19.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.140000000000001 110.93 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -155.75 159.14 39.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 54.109999999999999 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.97 -36.16 92.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 55.299999999999997 112.447 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -95.15 38.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 111.149 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -126.98 105.1 8.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -54.62 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.140000000000001 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD11 HG22 ' A' ' 74' ' ' VAL . 20.1 mt -66.21 -15.33 63.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.893 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.0 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.08 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -84.75 -47.95 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 110.862 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.57 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.862 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 37' ' ' LEU . 39.1 m-85 -78.64 -3.38 43.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.916 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 55.15 42.65 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 74.5 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 32.4 mt -54.64 141.08 33.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.350000000000001 110.918 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -78.33 155.87 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.866 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 t -55.1 -25.9 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.88 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.02 -48.8 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -50.15 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.861 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.62 -41.52 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 83.9 t -57.99 -53.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 75.109999999999999 111.201 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.49 -28.25 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.849 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.16 -58.53 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.962 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.9 pt -61.1 -38.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 111.101 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.0 mtp -68.28 -42.72 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.833 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -59.65 -53.64 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 73.120000000000005 110.871 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.3 mt -65.04 -38.02 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.948 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.83 -52.07 65.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 62.439999999999998 110.917 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.94 -31.49 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.420000000000002 110.947 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -57.42 -55.4 35.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 74.530000000000001 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.795 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.8 m-85 -99.73 11.52 39.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 110.869 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t 51.56 29.81 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 74.450000000000003 110.87 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.44 155.44 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -104.74 94.52 5.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mt -100.98 139.71 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 50.350000000000001 111.153 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -110.65 -171.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.1 -46.97 26.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.83 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.72 -32.19 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.01 -46.8 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.19 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 111.055 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -20.84 57.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.951 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -111.33 11.12 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.450000000000003 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 80' ' ' TYR . 57.4 mt -123.55 94.47 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 61.299999999999997 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 73' ' ' THR . 17.5 pt-20 -121.09 -38.1 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.93 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 72' ' ' GLU . 66.9 p -93.32 153.15 18.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 72.439999999999998 111.081 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.782 HG22 HD11 ' A' ' 37' ' ' LEU . 45.0 t -51.42 -52.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 111.06 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.97 -42.21 68.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 70.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.88 -50.45 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.519999999999996 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HA ' HD22 ' A' ' 71' ' ' LEU . 62.0 mt -60.8 -55.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 62.009999999999998 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.88 -39.02 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.929 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.0 -44.9 91.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.5 t80 -64.11 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.943 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.526 HG22 HD13 ' A' ' 9' ' ' ILE . 80.8 mt -74.71 -38.58 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.450000000000003 111.137 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -64.72 -45.17 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.319999999999993 111.058 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 t -54.79 -26.56 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HG3' HD11 ' A' ' 61' ' ' LEU . 24.6 mmtt -86.88 -49.53 7.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.239999999999995 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 p -112.66 61.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 62.210000000000001 110.819 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -70.68 -26.98 63.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.319999999999993 110.855 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -113.13 -36.93 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 61.420000000000002 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.239999999999995 111.179 179.818 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 CA-C-O 120.858 0.274 . . . . 74.430000000000007 112.345 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.38 131.01 7.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 71.25 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -164.76 110.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 72.209999999999994 110.825 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.9 mtt -90.66 -24.99 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.129999999999995 110.936 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 m -53.52 173.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 111.106 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.2 t -53.73 107.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.200000000000003 110.868 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.3 -33.77 76.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.52 -50.42 73.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.985 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.5 mt -72.72 -32.29 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 72.450000000000003 111.07 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.904 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.68 69.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 53.200000000000003 111.104 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -75.33 -45.59 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 75.200000000000003 110.937 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.34 -42.69 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 111.081 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.47 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 73.120000000000005 110.864 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -34.93 75.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.540000000000006 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 p -75.1 -41.62 58.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.786 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HD13 ' A' ' 37' ' ' LEU . 77.4 t -63.78 -52.55 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.5 111.153 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.84 ' HA ' HD23 ' A' ' 23' ' ' LEU . 44.4 mt -48.25 -52.8 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 111.119 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.33 -23.49 75.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 43.030000000000001 112.504 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.8 -50.68 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 65.109999999999999 110.845 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.34 4.88 31.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.899 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt 50.46 88.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.895 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -91.7 155.07 18.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -101.43 -176.29 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.817 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.79 -54.34 47.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.530000000000001 110.826 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.0 mm100 -55.39 -43.08 74.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.329999999999998 110.902 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.28 -23.05 62.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 73.129999999999995 110.895 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.58 -28.43 24.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.439999999999998 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -104.01 23.4 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.169 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 18.4 tp -90.06 159.09 17.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.925 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.77 145.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.817 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.44 -33.14 39.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.683 -0.77 . . . . 55.299999999999997 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -94.22 39.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 111.131 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -128.53 104.45 7.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 52.310000000000002 111.161 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -53.46 105.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 110.96 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.959 HD13 HG11 ' A' ' 17' ' ' VAL . 18.0 mt -67.1 -11.96 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 73.299999999999997 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.97 -46.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 111.051 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.400000000000006 110.926 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.61 -63.17 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 63.340000000000003 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.5 m-85 -78.23 -3.93 45.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 t30 51.43 44.56 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 21' ' ' LEU . 35.0 mt -56.53 151.56 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.48 155.4 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.946 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.6 t -54.46 -26.52 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.881 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -72.82 -48.84 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -49.24 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 73.340000000000003 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.68 -46.75 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 45' ' ' SER . 90.0 t -54.14 -53.27 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.109999999999999 111.124 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.91 -29.64 70.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.893 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.0 mt -68.21 -58.42 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.319999999999993 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -58.89 -38.4 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.145 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -68.51 -40.79 80.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 110.842 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.28 -53.29 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 73.120000000000005 110.814 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 13' ' ' VAL . 12.3 mt -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.57 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 62.439999999999998 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.86 -31.48 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.35 -57.48 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.530000000000001 110.906 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.2 m-85 -95.72 11.01 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 75.510000000000005 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.78 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.450000000000003 110.805 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 80' ' ' TYR . 62.4 tp -76.4 155.94 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.949 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -105.24 94.65 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -102.54 134.64 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.148 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -112.51 160.95 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 110.815 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.57 -37.25 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.84 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.98 -29.29 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 75.310000000000002 110.877 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -68.48 -40.65 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 63.039999999999999 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.93 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.140000000000001 111.167 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -22.52 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.109999999999999 110.906 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.52 13.59 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.450000000000003 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' ' 77' ' ' ILE . 60.1 mt -124.58 96.25 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.46 -37.65 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 73.519999999999996 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 p -93.78 157.43 16.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 111.123 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 37' ' ' LEU . 24.1 t -57.17 -51.73 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 111.096 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.21 -52.13 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 70.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -56.34 -50.35 71.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.859 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.3 mt -57.22 -55.39 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 62.009999999999998 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.78 -34.63 69.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -66.96 -41.4 86.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.553 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.4 t80 -68.63 -39.68 80.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.907 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 9' ' ' ILE . 63.3 mt -74.45 -35.76 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 75.450000000000003 111.143 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -67.38 -48.28 67.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 111.132 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -26.53 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 54.130000000000003 110.851 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG3' HD11 ' A' ' 61' ' ' LEU . 43.9 mmtt -81.28 -39.39 25.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 70.239999999999995 110.918 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -173.06 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 62.210000000000001 110.85 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.6 p -119.02 27.14 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 64.319999999999993 110.874 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -111.0 77.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 61.420000000000002 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.239999999999995 111.11 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.772 0.238 . . . . 74.430000000000007 112.335 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.67 77.5 1.32 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 71.25 112.558 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -70.34 94.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 72.209999999999994 110.867 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.29 -29.99 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 72.129999999999995 110.885 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.01 135.96 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 72.329999999999998 111.124 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 7.3 t -63.01 96.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 70.200000000000003 110.898 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.3 -38.37 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 63.299999999999997 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.8 -51.68 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 65.319999999999993 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.757 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 8.2 mt -72.58 -36.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -51.62 -40.46 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.83 -31.29 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 53.200000000000003 111.079 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.65 -44.94 39.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.95 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.0 m -65.13 -41.71 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 71.299999999999997 111.111 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.448 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.23 -38.47 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.954 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.1 -35.74 80.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 110.886 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -74.73 -49.4 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.744 HG22 HD22 ' A' ' 51' ' ' LEU . 78.5 t -56.22 -50.63 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.7 mt -47.92 -51.18 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.38 74.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.484 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.743 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.35 -50.37 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 65.109999999999999 110.909 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.931 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.23 4.32 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 53.409999999999997 110.94 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 49.91 88.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.540000000000006 110.903 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -89.8 173.0 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.93 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -121.69 -179.54 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 110.899 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -58.06 -37.3 74.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -71.1 -47.31 58.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.793 ' HB3' HD12 ' A' ' 23' ' ' LEU . 42.5 mm-40 -60.73 -37.97 83.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -73.35 -23.91 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.937 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -87.09 -30.41 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.908 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -98.86 23.31 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.020000000000003 111.129 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -96.42 157.5 15.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 64.140000000000001 110.938 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.479 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -161.37 160.07 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 54.109999999999999 110.879 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.49 -36.43 93.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 55.299999999999997 112.475 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -95.43 39.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 73.140000000000001 111.157 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -121.6 106.31 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 52.310000000000002 111.194 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -55.86 103.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.87 HD11 HG22 ' A' ' 74' ' ' VAL . 21.2 mt -66.2 -13.42 60.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.909 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.95 -48.77 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 111.108 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -84.85 -50.94 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.02 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 63.340000000000003 110.88 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 37' ' ' LEU . 30.0 m-85 -78.79 -2.8 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.869 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 54.15 38.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.902 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.931 HD21 HD13 ' A' ' 21' ' ' LEU . 55.6 mt -51.44 144.65 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 61.350000000000001 110.943 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -83.42 155.97 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.239999999999995 110.861 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.1 t -54.48 -26.38 30.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 65.319999999999993 110.907 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.11 -48.77 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 75.230000000000004 110.933 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -48.96 76.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.89 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.99 -42.83 69.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.219999999999999 110.966 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 45' ' ' SER . 80.5 t -57.77 -53.86 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 75.109999999999999 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.22 -28.98 70.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 110.831 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD22 HG22 ' A' ' 17' ' ' VAL . 9.4 mt -66.08 -58.4 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.61 -38.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 111.085 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.99 -41.72 81.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 110.887 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -61.58 -53.41 56.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 73.120000000000005 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -64.97 -37.23 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.947 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -58.05 -51.93 67.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 62.439999999999998 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.65 -29.91 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.420000000000002 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.31 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.530000000000001 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.757 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.4 m-85 -92.79 11.05 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 110.882 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 t 51.51 29.87 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.901 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 84' ' ' LYS . 59.7 tp -76.52 156.36 32.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.946 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -105.26 94.66 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.914 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.86 137.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 50.350000000000001 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.129999999999995 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.0 -41.25 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 75.310000000000002 110.904 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.81 -50.43 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 63.039999999999999 110.821 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.75 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 111.091 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -21.51 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.924 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -18.05 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.86 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 77' ' ' ILE . 58.7 mt -84.82 96.97 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 61.299999999999997 110.934 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' OE2' HG23 ' A' ' 73' ' ' THR . 2.0 pp20? -130.06 10.83 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.89 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.549 HG23 ' OE2' ' A' ' 72' ' ' GLU . 1.4 p -139.88 149.96 44.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 111.179 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 HD11 ' A' ' 37' ' ' LEU . 64.3 t -53.8 -55.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -52.84 -47.38 67.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 70.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.27 -50.36 73.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.4 ' HA ' HD22 ' A' ' 71' ' ' LEU . 11.5 mt -56.03 -55.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.009999999999998 111.148 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.4 t -57.23 -41.45 79.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.239999999999995 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.91 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.7 t80 -68.73 -42.12 78.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.98 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.498 ' CG2' HG21 ' A' ' 9' ' ' ILE . 63.1 mt -70.12 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 75.450000000000003 111.107 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.68 -46.31 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.09 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.5 t -54.47 -27.04 34.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.814 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.526 ' HG3' HD11 ' A' ' 61' ' ' LEU . 7.9 mmtp -81.27 -50.32 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 110.913 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 p -53.35 -30.11 37.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 62.210000000000001 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m -73.56 -34.52 65.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 64.319999999999993 110.836 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -121.65 80.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 61.420000000000002 110.913 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 70.239999999999995 111.051 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.793 0.247 . . . . 74.430000000000007 112.351 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.02 -96.03 0.56 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 71.25 112.534 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -113.95 68.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 72.209999999999994 110.879 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.1 tpt -53.83 -42.33 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.129999999999995 110.85 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -72.29 135.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.329999999999998 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 101.53 13.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 70.200000000000003 110.866 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -52.7 -38.83 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 63.299999999999997 110.833 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.35 -51.4 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.917 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.788 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.68 -32.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 111.187 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.18 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 74.030000000000001 110.946 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.17 -31.28 68.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 53.200000000000003 111.104 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -75.69 -44.71 40.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.38 -41.51 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 111.208 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.66 -38.39 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 73.120000000000005 110.938 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.81 -37.09 83.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.918 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -74.9 -47.42 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 73.299999999999997 110.85 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 51' ' ' LEU . 49.1 t -56.63 -51.77 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.5 111.158 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.827 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.2 mt -49.0 -49.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 62.420000000000002 111.184 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.29 -23.35 74.03 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.030000000000001 112.492 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.739 ' HB3' HD23 ' A' ' 21' ' ' LEU . 2.3 t -64.7 -50.04 68.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 65.109999999999999 110.88 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.12 4.29 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 53.409999999999997 110.938 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 49.43 88.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.540000000000006 110.933 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -89.38 149.87 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.340000000000003 110.969 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.02 164.82 15.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 75.319999999999993 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.04 -38.0 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.929 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -72.12 -36.55 69.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 64.530000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -65.88 -31.34 72.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.884 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -74.96 -22.59 58.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.854 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -88.61 -31.44 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -95.27 23.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 63.020000000000003 111.143 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -99.68 153.51 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.140000000000001 110.983 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.04 151.47 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 54.109999999999999 110.826 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.55 85.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 55.299999999999997 112.522 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -95.62 38.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 73.140000000000001 111.104 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -128.55 107.69 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 52.310000000000002 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -53.8 105.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.882 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 74' ' ' VAL . 18.8 mt -66.46 -13.7 61.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.938 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.06 -48.32 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -85.15 -49.4 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 110.854 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.08 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 63.340000000000003 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.5 ' HE2' HD22 ' A' ' 37' ' ' LEU . 33.4 m-85 -78.69 -2.62 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 52.16 60.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.968 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 21' ' ' LEU . 31.9 mt -73.1 152.79 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 61.350000000000001 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.1 155.69 17.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.833 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 49' ' ' VAL . 38.2 t -54.92 -25.58 30.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 65.319999999999993 110.88 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.04 -36.31 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 75.230000000000004 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -46.29 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.894 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.25 -44.22 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.831 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' SER . 84.9 t -57.32 -52.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 111.164 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.36 -29.24 70.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.844 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 17' ' ' VAL . 10.0 mt -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.82 -38.7 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.131 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.58 -41.69 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.914 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -60.39 -53.72 54.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.120000000000005 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.0 mt -65.5 -37.86 88.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.903 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.46 -51.9 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 62.439999999999998 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.62 -31.9 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.919 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -57.63 -56.24 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.788 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.6 m-85 -96.73 10.94 37.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.510000000000005 110.859 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 51.86 29.16 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 110.796 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' A' ' 84' ' ' LYS . 61.2 tp -76.13 156.42 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.97 94.58 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.299999999999997 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 132.32 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.12 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 158.28 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 62.420000000000002 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.29 -33.51 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.856 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.908 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -70.6 -39.61 73.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.84 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -22.81 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.182 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -59.23 -20.89 57.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 13.73 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 110.872 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 80' ' ' TYR . 79.8 mt -122.09 120.51 34.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.885 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.38 -47.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.863 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.8 p -84.14 157.44 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.439999999999998 111.208 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 37' ' ' LEU . 44.5 t -56.65 -51.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 71.099999999999994 111.142 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.23 -42.62 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 70.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -63.69 -50.69 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 110.853 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.36 -55.85 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 62.009999999999998 111.173 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.2 t -54.74 -40.64 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -61.73 -49.22 77.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.7 t80 -59.45 -39.73 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.953 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 9' ' ' ILE . 77.8 mt -72.65 -35.64 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.450000000000003 111.144 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.16 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -54.42 -27.46 37.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 54.130000000000003 110.893 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.514 ' HG3' HD11 ' A' ' 61' ' ' LEU . 26.0 mmtm -76.52 -46.75 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 t -53.31 -52.61 58.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 62.210000000000001 110.83 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -54.99 -49.28 71.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 64.319999999999993 110.865 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.92 -45.52 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 61.420000000000002 110.85 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 70.239999999999995 111.163 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 1.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 70.200000000000003 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.01 -29.47 67.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.299999999999997 110.928 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.71 -52.29 57.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 65.319999999999993 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.4 mt -72.58 -32.41 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 72.450000000000003 111.1 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -51.32 -40.74 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.921 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.61 -31.52 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 53.200000000000003 111.094 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.19 -46.33 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.939 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.6 m -64.4 -43.06 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.299999999999997 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.27 -37.55 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.881 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -68.08 -35.42 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.540000000000006 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -74.93 -41.86 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.877 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.908 HG11 HD13 ' A' ' 37' ' ' LEU . 76.4 t -63.17 -51.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.5 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 38.4 mt -49.17 -53.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.099 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.28 76.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.453 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -49.98 72.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 65.109999999999999 110.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.63 5.19 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.409999999999997 110.925 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 50.15 88.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.540000000000006 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.97 153.14 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.922 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -101.06 175.98 5.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.319999999999993 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.15 -41.54 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.82 -54.07 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.530000000000001 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.7 mm100 -57.21 -40.96 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.878 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -70.71 -22.54 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.935 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -89.44 -21.95 22.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -109.54 22.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 63.020000000000003 111.147 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -95.8 155.01 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.938 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.12 158.74 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.109999999999999 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.12 -30.55 77.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 55.299999999999997 112.454 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 p -99.59 39.0 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.916 0.388 . . . . 73.140000000000001 111.165 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -126.39 107.82 10.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.18 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -53.67 104.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 110.902 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.908 HD13 HG11 ' A' ' 17' ' ' VAL . 15.9 mt -67.86 -12.2 60.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.299999999999997 110.932 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -46.02 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 111.142 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -85.14 -51.48 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.893 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.62 -63.22 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.55 -3.79 45.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.893 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.1 47.74 24.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.5 110.905 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 76.9 mt -58.64 150.3 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 61.350000000000001 110.937 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -84.64 154.67 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 75.239999999999995 110.849 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 49' ' ' VAL . 70.6 p -55.22 -25.99 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 110.884 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -48.53 36.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -48.83 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.881 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.75 -45.42 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.855 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -55.58 -52.22 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 111.151 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.1 mt -66.76 -58.55 4.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 73.319999999999993 110.881 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.0 pt -58.78 -38.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.49 -39.79 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.882 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -62.62 -53.49 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.8 mt -65.09 -37.44 87.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.62 -52.0 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.439999999999998 110.841 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.6 -29.47 64.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.868 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -60.78 -57.89 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.9 m-85 -95.18 10.81 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.510000000000005 110.867 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m 51.51 30.41 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.857 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.5 tp -76.26 155.54 34.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.93 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.36 94.67 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.299999999999997 110.88 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -99.87 143.61 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.123 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 m -112.32 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 62.420000000000002 110.855 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -75.67 -41.78 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.02 -32.49 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.83 -47.28 80.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -23.18 63.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.61 -24.03 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 70.109999999999999 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.57 12.84 21.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 80' ' ' TYR . 74.8 mt -121.93 97.98 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -126.08 -37.62 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 73.519999999999996 110.9 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -86.86 158.37 19.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 72.439999999999998 111.141 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.844 HG22 HD11 ' A' ' 37' ' ' LEU . 21.6 t -60.3 -53.97 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.099999999999994 111.112 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.12 -50.54 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.519999999999996 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.2 -55.75 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 62.009999999999998 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.72 -38.72 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.907 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.67 -46.73 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.505 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.0 t80 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.889 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 9' ' ' ILE . 62.3 mt -73.61 -35.73 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.450000000000003 111.138 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -68.16 -46.12 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 111.111 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -54.37 -27.05 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.849 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 70.239999999999995 110.886 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 36.8 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.814 0.34 . . . . 70.200000000000003 110.832 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.29 -33.93 55.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 63.299999999999997 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.54 -51.23 69.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 65.319999999999993 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.78 -32.4 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.450000000000003 111.105 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -40.44 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.914 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.46 69.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 53.200000000000003 111.138 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -75.28 -46.52 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.9 m -64.35 -42.93 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.089 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.59 74.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.829 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.31 -34.96 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -41.75 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.687 ' HA ' HD21 ' A' ' 51' ' ' LEU . 69.6 t -63.41 -51.57 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.5 111.138 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.824 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.0 mt -49.13 -52.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 62.420000000000002 111.141 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -23.22 76.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 43.030000000000001 112.452 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -50.16 71.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 65.109999999999999 110.897 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.37 4.62 31.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.929 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt 51.06 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.911 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.19 166.99 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -111.87 -170.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.319999999999993 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.57 -40.09 88.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.846 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.67 -47.84 68.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.530000000000001 110.888 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.6 mm100 -59.9 -38.34 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.885 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.7 -22.78 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -88.86 -27.72 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.85 22.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.020000000000003 111.057 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 153.2 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.875 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -155.14 159.18 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 54.109999999999999 110.833 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.59 -27.25 73.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 55.299999999999997 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -102.92 38.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 73.140000000000001 111.126 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m -125.46 107.64 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 52.310000000000002 111.154 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -54.15 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.969 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 74' ' ' VAL . 19.7 mt -66.28 -13.96 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.299999999999997 110.964 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.88 -49.05 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.111 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -84.63 -48.69 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.400000000000006 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.19 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.1 m-85 -78.92 -3.19 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.939 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m120 54.62 38.32 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 51.4 mt -51.46 147.41 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.97 156.24 21.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.941 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.5 p -55.01 -26.31 36.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 65.319999999999993 110.848 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.06 -48.8 32.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.936 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -50.19 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 110.847 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.89 -46.33 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.219999999999999 110.902 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 95.2 t -56.08 -54.64 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 75.109999999999999 111.087 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.97 -29.06 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.8 mt -68.61 -58.14 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.319999999999993 110.992 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.5 pt -59.88 -36.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.136 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.7 mtp -69.07 -41.61 77.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.815 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -62.27 -50.49 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.85 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -67.11 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.97 -51.97 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 62.439999999999998 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -71.7 -31.23 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.420000000000002 110.88 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -59.21 -56.32 23.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 74.530000000000001 110.837 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.3 m-85 -96.68 10.34 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p 51.66 29.54 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 74.450000000000003 110.898 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.5 tp -75.39 155.22 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.944 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -103.86 94.58 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.299999999999997 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.86 138.7 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 50.350000000000001 111.114 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -108.98 -171.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.842 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.94 -37.59 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -74.87 -39.84 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -52.75 -49.79 64.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.9 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -20.61 57.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 70.109999999999999 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.92 -21.8 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.450000000000003 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 77' ' ' ILE . 65.1 mt -80.93 92.64 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 61.299999999999997 110.923 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 73' ' ' THR . 8.8 pt-20 -118.36 -30.1 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 72' ' ' GLU . 37.3 p -102.84 151.25 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 72.439999999999998 111.094 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 37' ' ' LEU . 34.0 t -53.49 -51.0 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 111.126 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -52.64 -42.73 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -65.87 -46.85 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.565 ' HA ' HD22 ' A' ' 71' ' ' LEU . 52.4 mt -60.74 -55.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 62.009999999999998 111.07 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.5 t -58.25 -40.36 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -63.32 -39.97 96.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.3 t80 -69.18 -38.31 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.968 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.513 HG22 HD13 ' A' ' 9' ' ' ILE . 82.9 mt -73.53 -40.19 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.77 -47.32 72.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.114 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -54.43 -27.11 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 32.2 mmtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.902 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.3 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.895 0.379 . . . . 70.200000000000003 110.821 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -52.41 -29.67 25.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.299999999999997 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.45 -52.74 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 65.319999999999993 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.783 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.0 mt -72.66 -33.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 72.450000000000003 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -51.57 -40.89 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.030000000000001 110.846 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.55 -31.3 69.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 53.200000000000003 111.1 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.13 -46.78 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 75.200000000000003 110.891 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.6 m -63.92 -43.56 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 71.299999999999997 111.085 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.71 -37.57 76.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.864 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.77 -35.66 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 72.540000000000006 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -74.76 -40.43 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.896 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 37' ' ' LEU . 78.9 t -63.63 -52.76 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 75.5 111.101 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.836 ' HA ' HD23 ' A' ' 23' ' ' LEU . 31.6 mt -48.32 -52.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.154 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.14 -23.27 76.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 43.030000000000001 112.489 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.95 -50.88 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 65.109999999999999 110.852 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.46 5.63 31.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.971 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 50.88 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.28 160.97 14.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.438 HD21 ' NE2' ' A' ' 27' ' ' GLN . 2.4 p-10 -107.09 -178.16 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.865 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.02 -42.17 84.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.846 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.13 -54.09 39.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.74 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.1 mp0 -56.73 -37.73 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.329999999999998 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -74.59 -23.79 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.968 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.32 -21.4 24.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.902 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -108.4 22.6 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 63.020000000000003 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -96.05 158.92 15.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.948 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.465 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -161.1 159.93 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 54.109999999999999 110.862 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.46 70.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 55.299999999999997 112.49 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 p -108.19 39.23 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 73.140000000000001 111.204 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 110.29 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.31 105.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.995 HD11 HG22 ' A' ' 74' ' ' VAL . 0.5 OUTLIER -66.99 -13.41 61.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.913 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.85 -45.1 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.04 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -52.86 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -50.5 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 63.340000000000003 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -78.73 -2.83 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.864 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.9 40.02 27.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 21' ' ' LEU . 42.7 mt -51.34 156.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.905 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -98.14 157.66 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 110.943 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 31.9 p -55.66 -25.15 37.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.319999999999993 110.831 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.92 -36.5 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -47.06 26.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.906 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -51.85 -46.57 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.219999999999999 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' SER . 72.5 t -54.75 -54.86 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 75.109999999999999 111.116 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.7 -32.2 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 71.129999999999995 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.2 mt -66.49 -58.09 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.319999999999993 110.946 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.04 -37.09 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 111.17 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.04 -42.36 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.9 p -62.52 -51.47 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 73.120000000000005 110.89 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -64.64 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 75.25 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD12 ' A' ' 63' ' ' ILE . 28.3 tt0 -59.19 -51.99 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.439999999999998 110.932 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.68 -27.74 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 70.420000000000002 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -62.51 -57.0 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 110.926 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.783 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.8 m-85 -95.43 11.07 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t 51.64 29.37 5.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.867 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -75.18 155.02 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 74.25 110.951 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.33 94.37 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 65.299999999999997 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 56' ' ' GLU . 64.2 mt -98.3 141.34 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 50.350000000000001 111.114 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 m -110.82 -171.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 62.420000000000002 110.852 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -77.87 -45.59 23.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.843 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.62 -30.91 61.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.77 -46.69 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 63.039999999999999 110.886 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -23.03 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 111.083 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.83 -20.2 55.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 70.109999999999999 110.944 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -111.46 10.25 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 80' ' ' TYR . 62.9 mt -122.24 95.3 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 61.299999999999997 110.899 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -123.61 -41.96 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -84.2 163.48 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 111.08 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.995 HG22 HD11 ' A' ' 37' ' ' LEU . 84.7 t -61.89 -55.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 71.099999999999994 111.134 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -54.39 -45.27 72.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.833 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.98 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.905 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.9 mt -61.67 -55.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 62.009999999999998 111.158 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.45 -37.04 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.239999999999995 110.895 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -64.99 -49.11 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.614 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.7 t80 -60.41 -38.44 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.486 HG22 HD13 ' A' ' 9' ' ' ILE . 66.4 mt -74.56 -35.95 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.450000000000003 111.106 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.54 -45.51 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 111.069 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -54.44 -26.79 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 54.130000000000003 110.906 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' A' ' 61' ' ' LEU . 22.7 mmtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.929 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.768 0.318 . . . . 70.200000000000003 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -58.67 -30.95 67.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 63.299999999999997 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.82 -52.6 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 65.319999999999993 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.54 -32.31 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 111.117 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.05 -40.6 58.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.886 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.82 -31.56 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.200000000000003 111.146 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.1 -46.28 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.200000000000003 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.7 m -64.69 -43.2 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.299999999999997 111.108 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.0 -37.47 75.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.845 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -68.36 -35.68 78.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.926 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -74.87 -40.89 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.299999999999997 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.878 HG11 HD13 ' A' ' 37' ' ' LEU . 74.2 t -63.71 -53.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 75.5 111.123 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 mt -48.19 -52.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.161 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.31 -23.16 76.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 43.030000000000001 112.485 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.05 -51.15 67.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 65.109999999999999 110.905 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.922 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.2 5.23 32.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 53.409999999999997 110.894 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 50.12 89.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.913 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.835 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -92.43 149.47 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 110.922 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -95.94 -179.66 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -49.36 70.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.899 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.22 -54.53 44.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.717 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.2 mm100 -54.46 -46.95 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -67.58 -22.63 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.882 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.99 -19.39 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -113.98 21.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 63.020000000000003 111.167 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.73 154.93 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 64.140000000000001 110.878 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.03 159.38 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 54.109999999999999 110.824 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.68 -30.67 76.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 55.299999999999997 112.503 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -100.08 38.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 73.140000000000001 111.157 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.02 107.55 10.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 52.310000000000002 111.151 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -53.66 103.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 110.844 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.878 HD13 HG11 ' A' ' 17' ' ' VAL . 18.5 mt -67.8 -12.25 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 73.299999999999997 110.948 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.22 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.519999999999996 111.083 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -85.1 -52.38 5.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -50.12 -63.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' HE2' HD22 ' A' ' 37' ' ' LEU . 38.3 m-85 -78.67 -2.98 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.57 47.5 24.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 74.5 110.893 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 HD13 ' A' ' 21' ' ' LEU . 31.7 mt -58.8 143.99 45.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 61.350000000000001 110.912 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.66 155.26 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.839 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 p -55.14 -26.04 35.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.857 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -72.73 -40.88 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.929 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -48.14 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 110.844 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.92 -49.09 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.892 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 45' ' ' SER . 98.6 t -52.95 -51.46 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -30.92 71.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.129999999999995 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.55 -58.24 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.967 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.66 -38.55 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 111.179 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.57 -41.33 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.892 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 t -60.1 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.120000000000005 110.786 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.68 -37.82 87.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -56.29 -52.21 65.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 62.439999999999998 110.86 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -71.82 -31.99 67.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.420000000000002 110.907 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -57.14 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.530000000000001 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.8 m-85 -98.44 11.52 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.510000000000005 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t 51.58 29.46 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 74.450000000000003 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.6 tp -75.29 155.76 36.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.73 94.63 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.299999999999997 110.835 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 mt -103.07 137.48 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 50.350000000000001 111.186 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -112.42 159.25 18.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 62.420000000000002 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -51.86 -32.7 33.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -44.77 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.310000000000002 110.867 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -55.59 -39.98 71.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -23.19 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.39 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 70.109999999999999 110.898 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -110.72 3.71 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -112.94 112.27 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.299999999999997 110.868 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -137.43 -42.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.9 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 p -87.77 159.49 18.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.12 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 37' ' ' LEU . 21.5 t -59.36 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 71.099999999999994 111.12 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -52.64 -49.25 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 70.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -56.54 -50.44 71.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.57 -55.78 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.009999999999998 111.115 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.2 t -55.66 -37.99 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.239999999999995 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.12 -45.95 86.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' HD21 ' A' ' 61' ' ' LEU . 38.7 t80 -62.59 -39.66 94.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.926 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.462 HG22 HD13 ' A' ' 9' ' ' ILE . 81.5 mt -73.94 -35.77 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.450000000000003 111.147 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.77 81.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t -54.37 -26.79 32.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 54.130000000000003 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.8 mmtt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.912 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 2.2 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.813 0.339 . . . . 70.200000000000003 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -54.36 -30.25 51.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.822 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.42 -52.74 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.477 . . . . 65.319999999999993 110.924 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.57 -32.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.450000000000003 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -51.66 -40.48 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.030000000000001 110.935 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.41 69.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 53.200000000000003 111.145 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.29 -46.17 35.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.815 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.1 m -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 71.299999999999997 111.204 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.01 -37.78 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.891 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.26 -34.97 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 72.540000000000006 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 p -74.83 -40.77 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 110.802 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 37' ' ' LEU . 75.1 t -63.8 -53.0 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.5 111.14 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.82 ' HA ' HD23 ' A' ' 23' ' ' LEU . 60.6 mt -48.6 -52.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 62.420000000000002 111.118 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.38 -23.07 76.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.756 . . . . 43.030000000000001 112.536 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.4 -50.25 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 65.109999999999999 110.923 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.919 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 4.85 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 53.409999999999997 110.887 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 51.8 91.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -96.58 165.67 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.926 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.43 172.78 6.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.876 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -55.03 -25.95 33.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 64.319999999999993 110.934 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.8 -43.65 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 64.530000000000001 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CB ' HD12 ' A' ' 23' ' ' LEU . 2.2 mp0 -71.29 -25.27 62.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -75.63 -44.89 40.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 73.129999999999995 110.821 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.566 ' HG3' HG23 ' A' ' 30' ' ' ILE . 3.8 pt20 -65.95 -23.23 66.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.925 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 29' ' ' GLN . 2.1 pp -105.87 19.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.020000000000003 111.13 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 148.35 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 64.140000000000001 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -155.98 159.33 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 54.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.96 92.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 55.299999999999997 112.433 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -93.95 39.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 73.140000000000001 111.103 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -124.88 105.34 9.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 52.310000000000002 111.119 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -53.58 105.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 110.919 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.913 HD11 HG22 ' A' ' 74' ' ' VAL . 7.2 mt -66.97 -13.02 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.904 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.66 -47.36 12.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.519999999999996 111.113 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -84.9 -50.84 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.65 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 63.340000000000003 110.884 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -78.75 -2.87 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.909 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 53.51 39.86 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 74.5 110.818 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 21' ' ' LEU . 45.4 mt -52.5 155.07 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 61.350000000000001 110.901 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 157.94 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.88 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 18.0 m -55.23 -26.17 37.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 65.319999999999993 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.93 -48.65 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 75.230000000000004 110.948 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -49.11 78.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.826 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -51.79 -48.34 63.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -54.58 -52.04 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.109999999999999 111.105 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.47 -30.14 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.898 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.681 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.51 -58.18 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -38.29 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 111.143 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.66 -41.0 79.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.85 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.23 -53.28 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.918 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD1' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.35 -37.92 88.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.865 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -57.18 -52.13 66.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 110.843 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.54 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 70.420000000000002 110.852 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.83 -57.6 12.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.7 m-85 -95.39 11.12 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 110.851 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.54 29.85 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 110.842 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.515 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.1 tp -76.2 155.83 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.25 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -104.87 94.61 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 65.299999999999997 110.849 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.03 137.97 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 50.350000000000001 111.219 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -111.98 171.95 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 62.420000000000002 110.837 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.05 -39.9 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.129999999999995 110.909 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.95 -33.96 62.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.921 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.12 -48.11 76.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 63.039999999999999 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.02 64.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.44 -24.11 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.109999999999999 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -111.52 13.46 21.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.9 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 80' ' ' TYR . 81.4 mt -122.88 99.16 6.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 61.299999999999997 110.985 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -123.44 -37.73 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -93.08 153.31 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.439999999999998 111.144 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 37' ' ' LEU . 39.0 t -52.61 -52.13 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.087 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -52.92 -40.85 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 70.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -48.96 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.39 -55.02 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.185 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.4 t -55.63 -43.31 76.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.846 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -61.48 -45.92 92.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.0 t80 -62.1 -38.26 88.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.889 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.516 HG22 HD13 ' A' ' 9' ' ' ILE . 80.5 mt -74.67 -35.82 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 111.119 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -65.44 -45.71 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.319999999999993 111.111 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -54.45 -26.62 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 110.83 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HD11 ' A' ' 61' ' ' LEU . 19.9 mmtm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 70.239999999999995 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.855 0.359 . . . . 70.200000000000003 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -30.15 63.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 63.299999999999997 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.16 -51.93 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.2 mt -72.4 -32.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 72.450000000000003 111.19 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -39.62 63.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.899 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.79 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 53.200000000000003 111.137 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.51 -45.92 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 110.84 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.7 m -64.33 -42.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.299999999999997 111.098 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.54 -37.62 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.923 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -67.97 -35.43 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.540000000000006 110.903 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -75.1 -40.74 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.299999999999997 110.882 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 37' ' ' LEU . 68.9 t -63.29 -51.39 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 75.5 111.105 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.5 mt -49.38 -52.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 62.420000000000002 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.49 -23.03 76.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 43.030000000000001 112.536 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -50.5 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 65.109999999999999 110.832 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.94 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.35 3.79 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.938 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mttm 52.91 92.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.897 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -98.67 168.29 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 110.898 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.432 HD21 ' NE2' ' A' ' 27' ' ' GLN . 2.6 p30 -117.6 -179.35 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.319999999999993 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.38 -31.84 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.12 -55.5 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 64.530000000000001 110.873 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.744 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.5 -35.06 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.956 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -73.19 -22.75 60.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -88.98 -28.27 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.945 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -100.95 22.56 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 63.020000000000003 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 153.86 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 110.926 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.52 146.13 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 54.109999999999999 110.861 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.22 -30.41 61.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 55.299999999999997 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -98.14 38.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 111.163 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -127.85 108.93 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 52.310000000000002 111.157 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.12 104.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 71.140000000000001 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.897 HD11 HG22 ' A' ' 74' ' ' VAL . 19.1 mt -66.13 -13.49 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 73.299999999999997 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 -49.35 12.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.519999999999996 111.138 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -85.32 -49.91 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.400000000000006 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.56 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 63.340000000000003 110.897 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HE2' HD22 ' A' ' 37' ' ' LEU . 24.7 m-85 -78.6 -2.76 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.844 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.95 42.97 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.852 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.94 HD21 HD13 ' A' ' 21' ' ' LEU . 45.7 mt -56.96 151.32 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.973 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.06 154.37 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 28.5 p -53.52 -27.1 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.319999999999993 110.843 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.8 -48.68 36.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.230000000000004 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -49.26 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.909 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.06 -45.07 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.865 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 91.0 t -55.54 -55.75 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.126 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -59.77 -30.61 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.8 mt -66.45 -57.98 6.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.1 pt -62.62 -37.09 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.094 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtp -68.0 -41.75 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.863 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -63.42 -52.02 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.89 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CD2' HG12 ' A' ' 13' ' ' VAL . 9.2 mt -62.28 -41.93 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.25 110.973 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.746 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -57.68 -52.22 66.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.439999999999998 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.15 -22.69 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.420000000000002 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -67.51 -55.58 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 76.3 m-85 -92.99 16.21 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.510000000000005 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 52.07 26.58 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.450000000000003 110.878 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.99 165.82 24.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.867 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 93.93 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 110.874 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 56' ' ' GLU . 63.3 mt -99.87 138.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 50.350000000000001 111.17 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.02 -172.8 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.84 -39.35 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.867 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.34 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.13 -36.17 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 63.039999999999999 110.929 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -23.14 62.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.062 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.61 -18.36 59.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 70.109999999999999 110.954 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -111.64 12.01 21.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 77' ' ' ILE . 44.2 mt -122.56 111.12 16.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 61.299999999999997 110.914 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.87 -46.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.519999999999996 110.92 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 p -91.8 159.6 15.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.439999999999998 111.17 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 HD11 ' A' ' 37' ' ' LEU . 25.3 t -58.21 -53.24 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.099999999999994 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.77 -47.25 67.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -58.91 -48.18 82.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.838 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.631 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.4 mt -59.24 -55.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 62.009999999999998 111.181 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.2 t -54.89 -37.46 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.861 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -46.69 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.904 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CB ' HD21 ' A' ' 71' ' ' LEU . 31.5 t80 -61.81 -39.34 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.902 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.668 HG22 HD13 ' A' ' 9' ' ' ILE . 79.6 mt -74.75 -36.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.94 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.134 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -54.44 -26.53 31.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 54.130000000000003 110.828 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.917 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.793 0.33 . . . . 70.200000000000003 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.61 -35.4 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 63.299999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -60.83 -51.27 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 65.319999999999993 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.8 -32.48 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.075 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -40.26 60.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.922 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.86 -31.72 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 53.200000000000003 111.141 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.44 -45.35 39.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.864 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.9 m -66.03 -41.98 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 111.125 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -71.01 -37.45 72.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.901 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.540000000000006 110.875 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 p -74.96 -42.34 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.299999999999997 110.908 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.691 ' HA ' HD21 ' A' ' 51' ' ' LEU . 61.0 t -63.51 -53.24 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 75.5 111.064 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.832 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.5 mt -48.34 -52.4 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.144 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.21 76.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 43.030000000000001 112.482 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.66 -50.9 67.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 65.109999999999999 110.921 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.59 6.44 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 53.409999999999997 110.881 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt 50.05 89.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -92.86 154.87 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.919 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -96.84 -169.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.935 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.17 -50.51 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 110.809 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -61.3 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 64.530000000000001 110.913 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -57.71 -40.37 79.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 110.917 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -72.75 -22.57 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.91 -24.9 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.439999999999998 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.1 pp -101.84 23.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.020000000000003 111.079 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -100.04 149.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -161.21 159.75 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.109999999999999 110.82 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.66 -16.8 61.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 55.299999999999997 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.5 p -111.46 38.96 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 73.140000000000001 111.107 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -129.44 114.42 16.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 52.310000000000002 111.109 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -59.82 106.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 71.140000000000001 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 74' ' ' VAL . 3.2 mp -67.41 -15.1 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.936 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.02 -44.25 12.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.519999999999996 111.085 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.884 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.75 -61.96 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 63.340000000000003 110.857 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -79.05 -2.79 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.888 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.9 t30 51.83 44.09 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.5 110.859 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.081 HD21 HD13 ' A' ' 21' ' ' LEU . 84.8 mt -57.99 153.66 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.350000000000001 110.968 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 156.39 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.882 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.658 ' O ' HG23 ' A' ' 49' ' ' VAL . 14.8 t -54.52 -26.36 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.84 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.86 -44.35 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.230000000000004 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -49.41 71.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.1 -50.19 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 74.219999999999999 110.819 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 45' ' ' SER . 70.9 t -52.47 -51.94 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.109999999999999 111.113 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.54 -31.17 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 71.129999999999995 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.1 mt -68.08 -58.23 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.915 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.45 -38.42 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.179 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.06 -40.08 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.84 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -61.56 -53.42 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.904 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.3 mt -66.07 -38.0 87.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.905 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.07 -51.88 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 62.439999999999998 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.59 -32.26 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 70.420000000000002 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -57.71 -55.65 32.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -97.64 10.48 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.510000000000005 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.57 30.11 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.450000000000003 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.76 155.52 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 74.25 110.932 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -102.55 94.66 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.299999999999997 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -102.41 142.67 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.350000000000001 111.119 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -112.05 -170.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.420000000000002 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.38 -44.12 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.848 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.88 -27.06 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.07 -43.09 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 63.039999999999999 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.83 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 111.05 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.98 45.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 70.109999999999999 110.905 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 13.74 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.908 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.0 mt -127.85 88.76 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 61.299999999999997 110.837 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -118.31 -30.38 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.519999999999996 110.839 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -99.22 160.95 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 111.166 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.79 HG23 HD11 ' A' ' 37' ' ' LEU . 95.5 t -58.86 -45.69 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.432 . . . . 71.099999999999994 111.127 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -60.21 -48.71 80.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.87 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.454 ' HA ' HD22 ' A' ' 71' ' ' LEU . 37.8 mt -60.64 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.009999999999998 111.159 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.8 t -56.39 -40.47 74.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -62.66 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 72.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.625 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.0 t80 -65.43 -38.75 90.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.892 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.456 ' CG2' HG21 ' A' ' 9' ' ' ILE . 78.1 mt -73.88 -35.95 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.450000000000003 111.107 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.74 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 111.096 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -54.38 -27.17 34.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 54.130000000000003 110.888 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HG3' HD11 ' A' ' 61' ' ' LEU . 30.6 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 70.239999999999995 110.939 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.507 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.6 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.799 0.333 . . . . 70.200000000000003 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.49 -33.76 74.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 63.299999999999997 110.838 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.11 -49.98 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 65.319999999999993 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.79 -32.32 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 72.450000000000003 111.168 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -51.77 -40.71 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.913 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.52 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 111.093 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.43 -45.89 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 110.913 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.9 m -65.04 -42.78 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 111.16 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.45 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.120000000000005 110.902 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.47 -35.18 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -74.9 -41.89 58.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 37' ' ' LEU . 71.3 t -63.29 -51.32 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.2 mt -49.35 -53.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 62.420000000000002 111.076 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.19 76.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 43.030000000000001 112.536 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -50.21 71.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 65.109999999999999 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 4.71 30.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 110.886 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mttt 51.25 90.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.540000000000006 110.921 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.52 157.64 15.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 71.340000000000003 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -100.71 -175.41 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.21 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.868 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.21 -53.95 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.530000000000001 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -53.36 -41.03 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.917 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -72.73 -24.11 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -87.36 -15.75 36.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.943 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -115.05 22.6 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 63.020000000000003 111.141 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.67 155.32 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.140000000000001 110.953 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.41 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.3 t -157.1 159.14 37.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 54.109999999999999 110.861 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.11 86.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 55.299999999999997 112.51 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -98.19 39.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 73.140000000000001 111.169 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.2 m -126.3 108.42 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 52.310000000000002 111.162 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -55.85 105.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 74' ' ' VAL . 6.8 mt -67.69 -12.44 60.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.931 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.52 -45.19 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.519999999999996 111.085 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -85.32 -51.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 110.935 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -51.22 -63.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.816 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.39 -3.4 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 73.129999999999995 110.859 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 51.6 62.81 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 48.3 mt -72.97 155.42 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 61.350000000000001 110.952 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.07 154.92 18.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.942 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -53.13 -28.35 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 65.319999999999993 110.836 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 mt -72.78 -48.77 35.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.91 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.33 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.896 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.65 -47.66 63.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 45' ' ' SER . 85.3 t -52.11 -52.52 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 111.099 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.3 -31.77 72.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 110.887 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.3 mt -66.41 -58.25 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -58.82 -38.7 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 111.165 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.6 -41.88 78.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.952 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -60.0 -53.53 56.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 73.120000000000005 110.866 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.1 mt -65.2 -38.51 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.75 -52.22 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 62.439999999999998 110.873 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.94 -31.18 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -57.67 -54.71 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.861 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.3 m-85 -100.11 11.47 39.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.425 . . . . 75.510000000000005 110.87 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.65 29.61 5.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 110.902 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.9 tp -75.6 155.72 35.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -104.81 94.59 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 65.299999999999997 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mt -101.62 141.26 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 50.350000000000001 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -112.44 -170.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 110.814 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.55 -42.51 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.129999999999995 110.896 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.54 -31.92 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -57.84 -46.55 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 63.039999999999999 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.26 -22.11 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -24.84 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 70.109999999999999 110.889 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 10.83 20.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 74.450000000000003 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 80' ' ' TYR . 69.4 mt -118.97 96.34 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 61.299999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.12 -37.91 2.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.862 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.5 p -90.54 159.01 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.878 HG22 HD11 ' A' ' 37' ' ' LEU . 98.0 t -58.8 -50.23 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 111.07 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.32 -45.52 80.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 70.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.66 -50.49 70.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.811 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HA ' HD22 ' A' ' 71' ' ' LEU . 28.5 mt -59.73 -55.73 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 111.202 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -57.65 -34.22 69.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.928 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -67.71 -42.28 82.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.666 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.7 t80 -67.89 -38.29 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.93 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 64.4 mt -74.73 -44.03 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.450000000000003 111.223 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -61.81 -46.51 89.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.168 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -26.73 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 54.130000000000003 110.844 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 70.239999999999995 110.94 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.4 m . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.777 0.322 . . . . 70.200000000000003 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -52.09 -29.96 23.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 63.299999999999997 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.3 -52.59 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.319999999999993 110.905 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.781 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.71 -33.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 111.098 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -52.4 -40.01 61.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.08 -31.38 68.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 53.200000000000003 111.043 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.69 -44.72 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.200000000000003 110.923 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.4 m -65.32 -41.71 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.299999999999997 111.191 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.34 -38.43 68.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 73.120000000000005 110.894 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.03 -36.19 81.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 72.540000000000006 110.855 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -74.02 -49.28 25.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.846 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 HD22 ' A' ' 51' ' ' LEU . 72.3 t -56.46 -51.01 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.5 111.069 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.818 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.8 mt -47.88 -50.22 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 62.420000000000002 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.38 73.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.711 . . . . 43.030000000000001 112.487 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -64.52 -49.82 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 65.109999999999999 110.891 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.899 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.57 3.1 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.409999999999997 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 89.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.87 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -90.65 166.69 13.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.948 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -112.37 -171.63 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -34.3 77.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.833 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.12 -49.44 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 64.530000000000001 110.825 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 23' ' ' LEU . 10.9 mm-40 -59.42 -43.71 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 74.329999999999998 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.02 -24.38 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.39 -29.12 23.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.439999999999998 110.969 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.31 20.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.194 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.7 154.67 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 110.869 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.439 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.6 158.17 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.58 -31.01 78.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 55.299999999999997 112.511 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 p -99.6 38.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 73.140000000000001 111.118 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -125.42 106.5 9.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 52.310000000000002 111.165 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -53.8 104.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.140000000000001 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 74' ' ' VAL . 19.6 mt -67.12 -12.86 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 73.299999999999997 110.914 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.25 -47.61 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.109 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -50.79 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -64.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 63.340000000000003 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' HE2' HD22 ' A' ' 37' ' ' LEU . 34.3 m-85 -78.82 -2.49 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 110.873 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 t30 52.37 43.27 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 21' ' ' LEU . 36.9 mt -54.9 146.63 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 61.350000000000001 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.17 155.85 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 75.239999999999995 110.879 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.9 p -54.9 -26.84 38.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.906 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 mt -72.88 -48.79 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -48.85 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 110.878 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -53.43 -41.91 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.861 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 45' ' ' SER . 98.3 t -58.06 -54.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.128 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.16 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.891 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.721 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.07 -58.59 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.919 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -61.18 -38.87 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.122 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 mtp -68.13 -40.9 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.901 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -61.63 -52.66 63.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 73.120000000000005 110.84 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.3 mt -66.67 -37.06 83.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.933 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -57.89 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.439999999999998 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.44 -32.66 68.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -58.03 -59.79 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.530000000000001 110.85 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.7 m-85 -93.32 10.34 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 75.510000000000005 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.76 29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.450000000000003 110.905 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.51 HD21 ' CE1' ' A' ' 80' ' ' TYR . 59.2 tp -75.04 156.42 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 74.25 110.917 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.78 94.61 5.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 65.299999999999997 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.54 142.32 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 50.350000000000001 111.156 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -111.09 -171.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 110.871 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.87 -37.07 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.869 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -74.91 -40.41 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -53.35 -48.5 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 63.039999999999999 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.79 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 111.096 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -21.31 54.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.904 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -18.04 13.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 77' ' ' ILE . 79.1 mt -86.45 94.03 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 61.299999999999997 110.904 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 73' ' ' THR . 10.4 pt-20 -119.8 -33.08 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.955 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 72' ' ' GLU . 39.5 p -96.39 153.94 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 111.116 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.894 HG22 HD11 ' A' ' 37' ' ' LEU . 26.3 t -55.47 -51.95 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 71.099999999999994 111.08 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -52.75 -49.78 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.73 -49.5 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.3 mt -59.43 -55.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.009999999999998 111.106 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.23 -43.46 78.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.879 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.96 -42.86 95.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.51 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.4 t80 -64.94 -40.8 95.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 110.967 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 9' ' ' ILE . 83.6 mt -71.49 -35.82 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 75.450000000000003 111.146 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -69.42 -46.6 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 74.319999999999993 111.097 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -54.28 -26.78 31.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 54.130000000000003 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HG3' HD11 ' A' ' 61' ' ' LEU . 23.0 mmtm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 70.239999999999995 110.895 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 70.200000000000003 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.17 -34.05 73.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 63.299999999999997 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.42 -51.32 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.863 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.806 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.66 -32.13 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.450000000000003 111.101 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -51.21 -40.57 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.74 -31.79 69.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 53.200000000000003 111.107 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -75.3 -45.55 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.6 m -65.79 -42.21 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.299999999999997 111.167 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.454 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -70.83 -37.2 73.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 110.877 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.56 -35.15 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.540000000000006 110.868 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -75.0 -42.15 58.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.82 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.698 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.0 t -63.86 -51.62 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.075 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.1 mt -49.45 -52.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.19 75.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.722 . . . . 43.030000000000001 112.455 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -50.58 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 65.109999999999999 110.905 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.42 5.04 31.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.933 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.01 91.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 110.957 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -97.33 169.4 9.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -115.97 -175.09 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.924 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.05 -35.74 81.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.848 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.63 -48.0 43.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.908 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' LEU . 40.2 mm-40 -58.74 -34.32 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.329999999999998 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -74.8 -22.54 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.09 -30.39 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 pp -93.66 18.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 63.020000000000003 111.162 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -96.86 155.69 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.140000000000001 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.609 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.08 159.68 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.109999999999999 110.839 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.36 -19.06 63.91 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 55.299999999999997 112.546 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.3 p -113.73 38.98 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 73.140000000000001 111.124 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -123.49 110.7 15.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 52.310000000000002 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -55.35 104.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 74' ' ' VAL . 2.8 mp -67.98 -14.63 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.299999999999997 110.925 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.21 -44.25 14.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.099 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -84.59 -51.7 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.400000000000006 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.28 -63.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.86 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -78.77 -3.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.951 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t30 52.7 46.52 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.5 110.868 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 81.0 mt -60.24 154.17 20.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 110.882 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.89 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.7 t -53.42 -27.76 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 65.319999999999993 110.838 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.21 -49.09 29.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.955 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -50.15 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.875 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.54 -49.1 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 87.9 t -53.15 -51.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 111.13 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -31.3 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.848 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.4 mt -67.63 -58.4 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.956 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 pt -58.25 -38.31 67.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 111.167 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -69.44 -39.66 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.86 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 t -61.34 -53.7 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -66.21 -38.84 88.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.858 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.17 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 62.439999999999998 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.84 -31.84 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.420000000000002 110.848 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -57.17 -55.24 37.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 110.87 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.806 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.4 m-85 -99.36 11.28 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.817 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t 51.58 29.59 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.86 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 84' ' ' LYS . 64.3 tp -75.41 155.63 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -103.78 94.56 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 65.299999999999997 110.897 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.95 139.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 50.350000000000001 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -112.49 -171.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.67 -35.2 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.859 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.0 -41.62 59.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -55.72 -53.05 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 110.853 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.16 -22.63 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 111.099 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -20.43 50.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 70.109999999999999 110.869 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -17.61 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 110.892 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 77' ' ' ILE . 93.2 mt -86.14 92.11 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.531 ' OE1' HG23 ' A' ' 73' ' ' THR . 2.4 pp20? -122.65 -4.89 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.519999999999996 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.531 HG23 ' OE1' ' A' ' 72' ' ' GLU . 1.4 p -123.2 154.81 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.147 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 37' ' ' LEU . 95.4 t -55.77 -54.33 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 71.099999999999994 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.75 -46.31 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.64 -50.45 72.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 110.879 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.699 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.0 mt -58.43 -55.82 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 111.088 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.8 t -58.07 -42.84 86.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.472 . . . . 72.239999999999995 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -59.78 -39.4 84.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.544 ' HB2' HD21 ' A' ' 71' ' ' LEU . 35.7 t80 -69.05 -41.35 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.955 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 9' ' ' ILE . 77.3 mt -70.52 -36.91 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 75.450000000000003 111.134 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.06 69.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 74.319999999999993 111.074 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.3 t -54.65 -26.71 34.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 54.130000000000003 110.796 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG3' HD11 ' A' ' 61' ' ' LEU . 56.0 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 70.239999999999995 110.902 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.886 0.374 . . . . 70.200000000000003 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.49 -33.7 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.299999999999997 110.798 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.04 -51.42 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.846 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.4 mt -72.75 -32.19 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.097 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -51.76 -40.17 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.07 -31.69 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 53.200000000000003 111.056 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.43 -45.06 41.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 110.869 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.0 m -66.15 -42.08 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.299999999999997 111.155 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.418 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -71.02 -37.39 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 73.120000000000005 110.89 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.874 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 t -74.92 -41.94 58.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.958 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.69 ' HA ' HD21 ' A' ' 51' ' ' LEU . 64.2 t -63.87 -52.75 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 75.5 111.145 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 49.2 mt -48.83 -51.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.2 75.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 43.030000000000001 112.555 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -64.16 -50.63 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 65.109999999999999 110.843 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.994 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.82 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 53.409999999999997 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 52.79 92.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.540000000000006 110.881 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -99.46 175.0 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 71.340000000000003 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -118.47 -176.34 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.319999999999993 110.887 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.78 -33.36 75.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 64.319999999999993 110.838 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.29 -49.73 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 64.530000000000001 110.896 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 23' ' ' LEU . 11.0 mm100 -54.11 -27.78 35.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.329999999999998 110.917 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -74.76 -32.02 61.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 73.129999999999995 110.866 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.64 -51.0 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 72.439999999999998 110.879 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.86 -27.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.020000000000003 111.152 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 12.4 tp -52.19 158.97 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 64.140000000000001 110.865 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.24 159.54 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 54.109999999999999 110.879 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.76 -13.71 59.51 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 55.299999999999997 112.519 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.9 p -121.07 38.73 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.140000000000001 111.151 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -125.36 108.8 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 52.310000000000002 111.096 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.48 105.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD11 HG23 ' A' ' 74' ' ' VAL . 4.0 mp -68.1 -14.91 63.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 -44.42 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 74.519999999999996 111.074 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -84.32 -50.64 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.968 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.59 -62.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.847 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.457 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 26.7 m-85 -78.75 -7.54 57.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.03 37.16 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.994 HD21 HD13 ' A' ' 21' ' ' LEU . 72.1 mt -51.44 151.0 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 61.350000000000001 110.913 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 156.61 16.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.239999999999995 110.916 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.5 m -53.46 -27.32 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 65.319999999999993 110.906 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 mt -73.0 -48.82 33.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 75.230000000000004 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -50.3 73.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.875 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.05 -49.95 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 74.219999999999999 110.893 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 45' ' ' SER . 83.6 t -52.28 -52.15 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 75.109999999999999 111.129 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 110.943 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.3 mt -67.99 -58.21 4.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 pt -58.53 -38.18 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 111.113 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -69.21 -38.54 78.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.86 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -63.18 -53.28 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.120000000000005 110.877 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.0 mt -66.44 -37.37 85.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.47 -51.91 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.439999999999998 110.911 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.81 -31.31 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.01 -56.55 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.811 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.53 10.5 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.510000000000005 110.875 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 t 51.65 29.55 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.450000000000003 110.894 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 84' ' ' LYS . 62.3 tp -76.11 156.01 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.39 94.6 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.943 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.83 138.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 50.350000000000001 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.45 159.09 19.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 62.420000000000002 110.806 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.06 -36.61 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 74.129999999999995 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.04 -38.02 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.91 -37.5 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 63.039999999999999 110.85 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.25 -23.14 62.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 111.031 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -60.24 -19.79 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.109999999999999 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -111.05 10.87 22.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.450000000000003 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 80' ' ' TYR . 58.3 mt -122.87 94.64 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 61.299999999999997 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.1 -36.83 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.863 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 p -92.14 164.24 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.439999999999998 111.165 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.752 HG23 HD11 ' A' ' 37' ' ' LEU . 92.4 t -61.79 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.099999999999994 111.155 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.76 -43.47 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -50.56 73.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.519999999999996 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.608 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.2 mt -62.07 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 62.009999999999998 111.093 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.19 -42.02 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.898 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -60.47 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.608 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.6 t80 -57.68 -41.79 82.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.129999999999995 110.88 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 9' ' ' ILE . 79.8 mt -70.67 -35.8 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 75.450000000000003 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -27.49 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 54.130000000000003 110.789 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.0 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.883 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.46 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 32.8 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.82 0.343 . . . . 70.200000000000003 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -51.81 -39.15 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 63.299999999999997 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.04 -51.12 68.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.319999999999993 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.787 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.61 -32.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.113 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -39.85 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 110.897 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.11 -31.66 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 53.200000000000003 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.64 -44.98 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.969 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.8 m -65.57 -41.5 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 71.299999999999997 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -72.42 -37.81 68.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.868 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -67.83 -35.76 79.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 72.540000000000006 110.913 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -74.84 -48.14 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.825 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.7 HG22 HD22 ' A' ' 51' ' ' LEU . 77.2 t -57.43 -52.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.817 ' HA ' HD23 ' A' ' 23' ' ' LEU . 56.0 mt -47.93 -48.99 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.142 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.7 -23.13 73.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 43.030000000000001 112.551 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.712 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.2 t -65.42 -49.34 69.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 65.109999999999999 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.34 2.3 31.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.937 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 51.87 91.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.891 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -95.19 156.13 16.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -98.62 -169.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -47.24 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.867 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.69 -45.03 94.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.3 mp0 -57.4 -38.65 74.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -72.41 -23.46 61.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -88.08 -26.61 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -102.42 23.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 63.020000000000003 111.104 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.75 153.2 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 64.140000000000001 110.898 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -157.0 154.77 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 54.109999999999999 110.877 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.705 -0.759 . . . . 55.299999999999997 112.518 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -97.71 38.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 73.140000000000001 111.091 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -124.75 106.58 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 52.310000000000002 111.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -53.72 105.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.140000000000001 110.844 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 74' ' ' VAL . 18.4 mt -66.55 -13.41 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.964 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.8 -49.11 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 111.082 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -84.96 -50.48 7.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.28 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.8 m-85 -78.84 -2.47 39.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.907 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 53.77 38.91 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.926 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 21' ' ' LEU . 50.1 mt -51.95 146.7 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 61.350000000000001 110.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.78 155.41 21.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.904 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.718 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.9 t -54.18 -26.54 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.319999999999993 110.889 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 mt -73.1 -49.08 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.927 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.33 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.340000000000003 110.86 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.34 -42.44 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 45' ' ' SER . 95.3 t -57.7 -54.13 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 75.109999999999999 111.151 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.38 -28.38 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 110.879 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.7 HD22 HG22 ' A' ' 17' ' ' VAL . 10.2 mt -66.06 -58.57 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.926 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 pt -61.7 -38.38 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 111.096 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -68.28 -41.6 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.859 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -61.22 -53.68 53.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.843 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -65.23 -36.91 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 75.25 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.1 -51.57 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 62.439999999999998 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.47 -31.28 66.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 70.420000000000002 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.36 -58.01 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.530000000000001 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.6 m-85 -94.91 10.21 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.510000000000005 110.863 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 t 51.68 29.68 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.7 tp -75.83 155.97 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.868 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.63 94.56 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 65.299999999999997 110.943 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -101.76 138.77 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 50.350000000000001 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -178.55 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.96 -48.39 63.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 74.129999999999995 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.91 -39.76 94.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.902 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.92 -50.37 70.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.039999999999999 110.866 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.1 -22.74 64.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.03 -21.97 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.109999999999999 110.912 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 -18.56 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 77' ' ' ILE . 89.5 mt -85.62 89.65 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.15 -36.02 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 73.519999999999996 110.79 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 p -94.64 150.96 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.439999999999998 111.225 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.843 HG22 HD11 ' A' ' 37' ' ' LEU . 34.6 t -54.7 -50.84 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 71.099999999999994 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -52.62 -47.01 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 70.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.73 -48.9 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.724 ' HA ' HD22 ' A' ' 71' ' ' LEU . 30.4 mt -58.23 -55.71 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 62.009999999999998 111.117 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.2 t -56.41 -42.0 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -41.71 97.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.829 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.3 t80 -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.924 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.494 HG22 HD13 ' A' ' 9' ' ' ILE . 83.8 mt -72.41 -36.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.450000000000003 111.105 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.1 -45.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 111.039 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 t -54.48 -27.16 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 54.130000000000003 110.816 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.47 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.7 mmtt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.239999999999995 110.876 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.0 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.901 0.381 . . . . 70.200000000000003 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -51.96 -30.09 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 63.299999999999997 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.41 -52.37 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.319999999999993 110.82 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.59 -32.6 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -40.75 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.64 -31.33 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 53.200000000000003 111.073 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -75.22 -46.67 32.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 75.200000000000003 110.899 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.5 m -63.83 -43.48 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 71.299999999999997 111.121 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.84 -37.71 76.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 73.120000000000005 110.849 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.68 -35.51 78.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.540000000000006 110.923 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -74.78 -40.84 60.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 73.299999999999997 110.828 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 13' ' ' VAL . 73.7 t -63.47 -52.73 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.5 111.13 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.9 mt -48.47 -52.71 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 62.420000000000002 111.146 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.16 -23.2 76.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 43.030000000000001 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.06 -50.71 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.388 . . . . 65.109999999999999 110.887 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.884 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.32 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 53.409999999999997 110.886 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 51.61 90.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.540000000000006 110.92 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.87 162.04 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.340000000000003 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -113.97 -179.01 3.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.918 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.04 -49.45 66.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 64.319999999999993 110.871 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.37 -55.02 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 64.530000000000001 110.864 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.9 mm100 -57.44 -43.76 84.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -67.62 -23.76 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.129999999999995 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.78 -29.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.953 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.26 22.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 63.020000000000003 111.178 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.73 153.57 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 64.140000000000001 110.864 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -158.04 158.71 35.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 54.109999999999999 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.51 -34.59 90.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 55.299999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -96.65 39.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 73.140000000000001 111.126 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.36 107.95 11.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 52.310000000000002 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -54.2 105.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 74' ' ' VAL . 9.0 mt -67.36 -12.63 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.299999999999997 110.907 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.68 -46.27 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.095 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -51.53 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.9 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -50.65 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.340000000000003 110.901 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -78.76 -2.88 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.9 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 51.92 46.43 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 74.5 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.884 HD21 HD13 ' A' ' 21' ' ' LEU . 31.3 mt -58.23 155.0 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 61.350000000000001 110.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 156.91 16.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.864 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 t -54.62 -26.69 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.852 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.84 -48.73 35.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.922 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -49.3 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.340000000000003 110.846 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -51.9 -48.34 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.219999999999999 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 45' ' ' SER . 98.1 t -54.22 -52.21 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 111.074 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.67 -30.34 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.914 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -68.26 -58.08 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.319999999999993 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.14 -38.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 111.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.75 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.855 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -61.46 -53.37 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.120000000000005 110.864 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.17 -38.29 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.861 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -57.3 -51.89 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.439999999999998 110.849 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.62 -30.44 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 70.420000000000002 110.912 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.47 -58.54 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 74.530000000000001 110.836 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.5 m-85 -94.66 10.83 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.510000000000005 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 51.82 29.69 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.822 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.2 tp -75.73 155.44 35.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.948 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -103.96 94.67 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.87 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.29 142.59 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.068 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.38 -172.39 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 62.420000000000002 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -78.56 -41.81 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.129999999999995 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.98 -31.1 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.310000000000002 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.86 -45.64 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 63.039999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.29 -23.14 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -19.39 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 70.109999999999999 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -111.33 9.82 21.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 80' ' ' TYR . 71.2 mt -122.35 90.84 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 61.299999999999997 110.899 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -117.6 -30.72 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.519999999999996 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 72.439999999999998 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.974 HG22 HD11 ' A' ' 37' ' ' LEU . 29.6 t -58.66 -54.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 71.099999999999994 111.167 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.84 -48.92 66.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 70.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.89 -50.36 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -59.64 -55.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 62.009999999999998 111.113 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.85 -40.4 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.239999999999995 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.41 -46.28 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 71' ' ' LEU . 37.3 t80 -62.36 -39.29 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.971 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 71.8 mt -73.2 -35.96 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 111.125 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -71.01 -46.78 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.115 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -54.54 -27.04 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 54.130000000000003 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 46.0 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.492 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 22.2 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.81 0.338 . . . . 70.200000000000003 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -52.35 -32.31 37.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 63.299999999999997 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.78 -50.94 71.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 65.319999999999993 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.7 -32.15 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 111.138 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -51.23 -40.64 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 110.871 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 53.200000000000003 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.19 -46.36 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.898 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.7 m -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.097 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.08 -37.43 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 73.120000000000005 110.884 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.94 -36.02 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 72.540000000000006 110.894 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -74.98 -40.39 60.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.299999999999997 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 37' ' ' LEU . 63.2 t -63.64 -52.24 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.5 111.111 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.8 mt -48.61 -52.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 62.420000000000002 111.178 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.12 76.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 43.030000000000001 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.9 -51.15 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.109999999999999 110.903 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 5.34 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 53.409999999999997 110.911 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt 50.41 89.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.897 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -92.66 149.45 21.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 71.340000000000003 110.847 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -92.99 177.02 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.897 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -33.71 66.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.319999999999993 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.1 -54.03 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 64.530000000000001 110.871 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -56.58 -33.43 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.929 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -73.57 -23.63 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.877 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -88.22 -32.85 18.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.887 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -95.46 22.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 63.020000000000003 111.14 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -94.43 154.45 17.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 64.140000000000001 110.955 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.54 153.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 54.109999999999999 110.909 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.65 89.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.676 -0.773 . . . . 55.299999999999997 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -94.19 38.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 73.140000000000001 111.134 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -125.7 106.16 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 52.310000000000002 111.202 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -53.39 105.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 74' ' ' VAL . 17.1 mt -67.45 -12.34 60.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 73.299999999999997 110.949 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.83 -46.4 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.519999999999996 111.128 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -84.95 -52.06 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.400000000000006 110.913 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.36 -63.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 63.340000000000003 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -78.79 -2.89 41.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.129999999999995 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 51.95 44.97 29.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.912 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 21' ' ' LEU . 31.8 mt -56.97 146.67 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.907 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -85.53 155.02 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.91 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.693 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.3 m -54.05 -27.17 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 65.319999999999993 110.858 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.63 -43.08 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -48.58 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.858 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -51.83 -50.57 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.85 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 45' ' ' SER . 97.9 t -52.03 -51.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 111.139 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -31.09 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.87 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.9 mt -68.59 -58.09 4.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 110.948 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.13 -38.91 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.061 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.56 -41.46 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.239999999999995 110.924 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.906 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.9 mt -65.82 -37.98 87.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.942 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.23 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 62.439999999999998 110.888 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.86 -32.5 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.855 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.78 -57.38 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.855 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.1 m-85 -95.47 11.1 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m 51.77 29.08 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.931 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.504 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.5 tp -76.47 156.29 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.09 94.49 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.872 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.75 132.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 50.350000000000001 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.58 158.94 19.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 62.420000000000002 110.834 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.75 -33.35 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.129999999999995 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.0 -34.58 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.310000000000002 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -70.47 -39.71 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.039999999999999 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.95 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 75.140000000000001 111.105 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.38 -19.76 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 70.109999999999999 110.94 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.71 13.0 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -120.0 111.15 17.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.402 . . . . 61.299999999999997 110.985 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.6 -48.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.519999999999996 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.5 p -82.34 155.12 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.439999999999998 111.085 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.891 HG22 HD11 ' A' ' 37' ' ' LEU . 40.7 t -57.45 -48.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 71.099999999999994 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -54.69 -53.68 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.22 -50.44 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.519999999999996 110.817 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.48 -55.6 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 62.009999999999998 111.154 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.85 -32.4 69.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 110.839 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -68.43 -39.12 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.7 t80 -71.87 -39.33 69.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 9' ' ' ILE . 61.9 mt -74.52 -40.22 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 75.450000000000003 111.145 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.0 -46.01 79.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.139 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -54.58 -26.74 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 54.130000000000003 110.792 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.911 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.505 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 23.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.889 0.376 . . . . 70.200000000000003 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.92 -39.31 58.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 63.299999999999997 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -50.36 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 65.319999999999993 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.808 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.1 mt -72.64 -32.4 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -50.96 -41.1 58.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.030000000000001 110.873 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.44 -31.46 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 53.200000000000003 111.172 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.11 -47.08 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.3 m -63.62 -43.38 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 71.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.9 -37.6 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.851 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.65 -35.53 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 72.540000000000006 110.895 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -74.92 -40.93 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 73.299999999999997 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.679 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.2 t -63.42 -52.32 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.5 111.119 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 34.0 mt -48.59 -53.03 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 62.420000000000002 111.155 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 -23.17 76.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.417 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.418 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.15 -51.02 68.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.874 0.369 . . . . 65.109999999999999 110.859 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.33 6.1 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 53.409999999999997 110.937 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.01 90.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.971 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.47 164.27 12.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.99 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -111.09 -176.08 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.899 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.15 -38.88 88.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.874 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 64.530000000000001 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.2 mp0 -58.85 -41.3 86.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 74.329999999999998 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -70.12 -23.06 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.821 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.96 -29.23 20.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 72.439999999999998 110.898 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -99.56 23.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.020000000000003 111.12 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -98.25 158.39 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.892 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.4 t -159.26 158.96 33.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.861 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.15 -24.07 71.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 55.299999999999997 112.506 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 p -106.49 39.04 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 73.140000000000001 111.129 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -124.51 115.83 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 52.310000000000002 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.15 105.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 71.140000000000001 110.936 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.961 HD11 HG22 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -67.69 -12.96 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.299999999999997 110.917 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.91 -45.0 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.519999999999996 111.078 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -84.36 -51.68 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.400000000000006 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.36 -62.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.843 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 37' ' ' LEU . 25.6 m-85 -78.85 -3.03 42.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.958 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.89 38.74 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.5 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 47.8 mt -51.53 148.34 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 61.350000000000001 110.899 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.82 157.13 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 75.239999999999995 110.88 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 t -55.16 -25.88 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.835 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.03 -48.88 32.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 110.876 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -49.68 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.72 -47.66 63.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.885 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 45' ' ' SER . 93.1 t -52.74 -52.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -31.34 71.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -66.81 -58.3 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 110.908 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -59.27 -38.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 111.15 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 mtp -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.851 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.72 -53.46 57.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.120000000000005 110.888 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.5 mt -65.39 -37.68 87.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.18 -52.07 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 110.878 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.7 -31.03 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 70.420000000000002 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.43 -57.47 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.530000000000001 110.877 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.07 11.51 33.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.905 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.34 30.35 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.6 tp -76.6 155.57 33.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.25 94.7 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.892 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 mt -104.02 139.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 50.350000000000001 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.11 179.64 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.86 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.76 -36.56 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.129999999999995 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.3 -42.21 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.783 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.2 -32.45 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 63.039999999999999 110.873 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.1 62.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.140000000000001 111.105 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.19 -18.75 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.862 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.99 8.82 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.937 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.82 HD22 ' HA ' ' A' ' 77' ' ' ILE . 80.5 mt -117.11 88.21 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 61.299999999999997 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.42 -37.49 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.962 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -95.84 158.4 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 111.132 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.961 HG22 HD11 ' A' ' 37' ' ' LEU . 86.2 t -58.28 -55.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.099999999999994 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.69 -42.05 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 70.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -49.65 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 73.519999999999996 110.802 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.82 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.4 mt -59.25 -55.71 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 111.148 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.71 -34.93 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.239999999999995 110.907 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -40.42 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CB ' HD21 ' A' ' 71' ' ' LEU . 36.2 t80 -69.18 -39.65 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.939 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 9' ' ' ILE . 82.1 mt -73.36 -48.33 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 75.450000000000003 111.116 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -60.32 -45.24 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.095 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -54.67 -26.81 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 54.130000000000003 110.854 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.4 mmtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 110.896 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 70.200000000000003 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.02 -38.6 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 63.299999999999997 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -51.18 67.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.835 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.54 -32.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.450000000000003 111.156 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -40.67 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.913 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.37 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 53.200000000000003 111.086 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.3 -46.49 33.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.200000000000003 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.0 m -64.32 -42.83 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 111.197 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.56 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 110.87 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -68.32 -34.97 77.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.540000000000006 110.862 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -74.97 -42.59 57.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.299999999999997 110.925 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.688 ' HA ' HD21 ' A' ' 51' ' ' LEU . 71.0 t -62.99 -51.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.148 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.826 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.6 mt -49.45 -53.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.95 -23.2 76.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.537 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -50.26 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 65.109999999999999 110.864 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.52 5.52 31.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 53.409999999999997 110.957 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 50.91 89.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.05 164.79 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -111.15 -176.62 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.319999999999993 110.928 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.42 -40.32 90.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 64.319999999999993 110.903 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.62 -48.55 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 64.530000000000001 110.857 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.794 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.1 mm100 -58.65 -34.05 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.91 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -74.56 -22.88 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.129999999999995 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -89.0 -30.28 18.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -96.55 24.15 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.117 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -101.43 155.08 18.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 64.140000000000001 110.925 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.42 159.49 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 54.109999999999999 110.831 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.75 93.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 55.299999999999997 112.514 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.2 p -94.65 38.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 111.133 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -123.55 129.35 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 52.310000000000002 111.182 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.23 104.69 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -69.9 -15.28 63.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 110.889 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.06 -42.3 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 111.096 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -84.76 -52.29 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.903 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.46 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 63.340000000000003 110.872 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -78.88 -3.03 42.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.829 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 51.99 46.91 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.905 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 21' ' ' LEU . 67.5 mt -57.69 150.6 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 61.350000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.07 155.55 19.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.879 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 p -53.83 -27.52 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.99 -48.83 33.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 75.230000000000004 110.936 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -49.92 73.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 110.927 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.14 -47.77 65.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 96.5 t -53.31 -52.31 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.109999999999999 111.119 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.78 -31.41 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.6 mt -66.66 -58.23 5.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.921 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 pt -59.1 -38.01 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 111.144 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.1 -39.2 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.897 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 t -62.81 -53.37 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 110.892 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 63' ' ' ILE . 34.2 tt0 -58.2 -51.96 67.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 62.439999999999998 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.52 -30.7 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.420000000000002 110.884 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.68 -56.88 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.5 m-85 -96.38 10.8 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t 51.09 30.71 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.903 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.488 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -76.35 155.19 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.888 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.84 94.66 5.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.928 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 56' ' ' GLU . 61.3 mt -99.59 143.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 50.350000000000001 111.103 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.49 -170.68 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.862 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -78.71 -44.75 22.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 75.310000000000002 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -57.46 -46.05 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 63.039999999999999 110.868 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.99 64.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 75.140000000000001 111.037 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.48 -22.62 44.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 70.109999999999999 110.91 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 13.9 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.885 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.2 mt -127.77 108.67 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.908 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -137.07 -41.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.519999999999996 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.41 ' HA ' HD22 ' A' ' 37' ' ' LEU . 22.2 p -88.52 157.03 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 72.439999999999998 111.141 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 37' ' ' LEU . 59.6 t -54.8 -40.52 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.099999999999994 111.091 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.04 -55.18 24.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 70.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.02 -50.42 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 110.884 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.27 -55.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 62.009999999999998 111.083 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.09 -40.73 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.18 -50.11 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HB2' HD21 ' A' ' 71' ' ' LEU . 39.4 t80 -58.56 -39.39 80.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.429 HG22 HD13 ' A' ' 9' ' ' ILE . 79.8 mt -73.25 -35.89 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.450000000000003 111.142 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 -46.14 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.319999999999993 111.09 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -54.35 -27.34 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 54.130000000000003 110.874 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HG3' HD11 ' A' ' 61' ' ' LEU . 50.0 mmtt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.239999999999995 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.805 0.336 . . . . 70.200000000000003 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -52.66 -37.09 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.299999999999997 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.36 -50.81 72.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 65.319999999999993 110.946 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.795 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.5 mt -72.76 -32.36 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.121 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -51.4 -40.37 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.895 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.443 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.93 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.200000000000003 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.71 -44.98 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.200000000000003 110.96 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.0 m -65.05 -41.55 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.299999999999997 111.187 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.61 -38.16 67.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.772 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.94 -35.92 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 72.540000000000006 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -74.98 -48.94 21.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 110.825 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.73 HG22 HD22 ' A' ' 51' ' ' LEU . 78.9 t -56.57 -50.3 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.5 111.179 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 47.3 mt -47.97 -51.54 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 62.420000000000002 111.166 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.88 -23.2 75.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 43.030000000000001 112.506 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.71 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.8 t -63.97 -50.79 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 65.109999999999999 110.845 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.75 4.63 32.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 53.409999999999997 110.926 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 49.62 89.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.540000000000006 110.914 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.35 167.09 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.879 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.42 -174.73 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 110.915 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.48 -38.17 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.319999999999993 110.872 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.43 -46.38 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.530000000000001 110.921 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.776 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.5 mm100 -61.87 -36.62 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.89 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.1 -23.78 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.918 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -88.44 -28.9 20.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.439999999999998 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -99.4 21.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.020000000000003 111.14 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -97.11 151.43 19.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.140000000000001 110.93 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -155.75 159.14 39.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 54.109999999999999 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.97 -36.16 92.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 55.299999999999997 112.447 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -95.15 38.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 111.149 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -126.98 105.1 8.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -54.62 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.140000000000001 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD11 HG22 ' A' ' 74' ' ' VAL . 20.1 mt -66.21 -15.33 63.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.893 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.0 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.08 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -84.75 -47.95 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 110.862 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.57 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.862 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 37' ' ' LEU . 39.1 m-85 -78.64 -3.38 43.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.916 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 55.15 42.65 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 74.5 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 32.4 mt -54.64 141.08 33.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.350000000000001 110.918 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -78.33 155.87 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.866 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 t -55.1 -25.9 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.88 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.02 -48.8 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -50.15 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.861 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.62 -41.52 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 83.9 t -57.99 -53.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 75.109999999999999 111.201 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.49 -28.25 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.849 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.16 -58.53 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.962 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.9 pt -61.1 -38.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 111.101 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.0 mtp -68.28 -42.72 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.833 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -59.65 -53.64 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 73.120000000000005 110.871 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.3 mt -65.04 -38.02 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.948 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.83 -52.07 65.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 62.439999999999998 110.917 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.94 -31.49 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.420000000000002 110.947 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -57.42 -55.4 35.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 74.530000000000001 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.795 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.8 m-85 -99.73 11.52 39.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 110.869 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t 51.56 29.81 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 74.450000000000003 110.87 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.44 155.44 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -104.74 94.52 5.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mt -100.98 139.71 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 50.350000000000001 111.153 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -110.65 -171.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.1 -46.97 26.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.83 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.72 -32.19 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.01 -46.8 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.19 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 111.055 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -20.84 57.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.951 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -111.33 11.12 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.450000000000003 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 80' ' ' TYR . 57.4 mt -123.55 94.47 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 61.299999999999997 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 73' ' ' THR . 17.5 pt-20 -121.09 -38.1 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.93 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 72' ' ' GLU . 66.9 p -93.32 153.15 18.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 72.439999999999998 111.081 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.782 HG22 HD11 ' A' ' 37' ' ' LEU . 45.0 t -51.42 -52.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 111.06 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.97 -42.21 68.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 70.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.88 -50.45 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.519999999999996 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HA ' HD22 ' A' ' 71' ' ' LEU . 62.0 mt -60.8 -55.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 62.009999999999998 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.88 -39.02 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.929 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.0 -44.9 91.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.5 t80 -64.11 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.943 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.526 HG22 HD13 ' A' ' 9' ' ' ILE . 80.8 mt -74.71 -38.58 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.450000000000003 111.137 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -64.72 -45.17 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.319999999999993 111.058 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 t -54.79 -26.56 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HG3' HD11 ' A' ' 61' ' ' LEU . 24.6 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.239999999999995 110.898 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.418 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.2 t . . . . . 0 N--CA 1.458 -0.03 0 CA-C-O 120.869 0.366 . . . . 70.200000000000003 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.3 -33.77 76.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.52 -50.42 73.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.985 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.5 mt -72.72 -32.29 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 72.450000000000003 111.07 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.904 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.68 69.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 53.200000000000003 111.104 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -75.33 -45.59 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 75.200000000000003 110.937 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.34 -42.69 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 111.081 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.47 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 73.120000000000005 110.864 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -34.93 75.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.540000000000006 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 p -75.1 -41.62 58.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.786 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HD13 ' A' ' 37' ' ' LEU . 77.4 t -63.78 -52.55 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.5 111.153 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.84 ' HA ' HD23 ' A' ' 23' ' ' LEU . 44.4 mt -48.25 -52.8 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 111.119 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.33 -23.49 75.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 43.030000000000001 112.504 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.8 -50.68 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 65.109999999999999 110.845 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.34 4.88 31.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.899 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt 50.46 88.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.895 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -91.7 155.07 18.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -101.43 -176.29 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.817 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.79 -54.34 47.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.530000000000001 110.826 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.0 mm100 -55.39 -43.08 74.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.329999999999998 110.902 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.28 -23.05 62.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 73.129999999999995 110.895 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.58 -28.43 24.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.439999999999998 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -104.01 23.4 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.169 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 18.4 tp -90.06 159.09 17.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.925 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.77 145.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.817 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.44 -33.14 39.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.683 -0.77 . . . . 55.299999999999997 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -94.22 39.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 111.131 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -128.53 104.45 7.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 52.310000000000002 111.161 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -53.46 105.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 110.96 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.959 HD13 HG11 ' A' ' 17' ' ' VAL . 18.0 mt -67.1 -11.96 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 73.299999999999997 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.97 -46.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 111.051 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.400000000000006 110.926 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.61 -63.17 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 63.340000000000003 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.5 m-85 -78.23 -3.93 45.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 t30 51.43 44.56 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 21' ' ' LEU . 35.0 mt -56.53 151.56 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.48 155.4 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.946 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.6 t -54.46 -26.52 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.881 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -72.82 -48.84 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -49.24 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 73.340000000000003 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.68 -46.75 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 45' ' ' SER . 90.0 t -54.14 -53.27 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.109999999999999 111.124 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.91 -29.64 70.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.893 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.0 mt -68.21 -58.42 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.319999999999993 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -58.89 -38.4 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.145 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -68.51 -40.79 80.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 110.842 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.28 -53.29 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 73.120000000000005 110.814 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 13' ' ' VAL . 12.3 mt -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.57 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 62.439999999999998 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.86 -31.48 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.35 -57.48 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.530000000000001 110.906 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.2 m-85 -95.72 11.01 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 75.510000000000005 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.78 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.450000000000003 110.805 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 80' ' ' TYR . 62.4 tp -76.4 155.94 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.949 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -105.24 94.65 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -102.54 134.64 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.148 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -112.51 160.95 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 110.815 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.57 -37.25 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.84 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.98 -29.29 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 75.310000000000002 110.877 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -68.48 -40.65 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 63.039999999999999 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.93 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.140000000000001 111.167 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -22.52 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.109999999999999 110.906 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.52 13.59 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.450000000000003 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' ' 77' ' ' ILE . 60.1 mt -124.58 96.25 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.46 -37.65 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 73.519999999999996 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 p -93.78 157.43 16.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 111.123 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 37' ' ' LEU . 24.1 t -57.17 -51.73 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 111.096 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.21 -52.13 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 70.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -56.34 -50.35 71.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.859 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.3 mt -57.22 -55.39 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 62.009999999999998 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.78 -34.63 69.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -66.96 -41.4 86.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.553 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.4 t80 -68.63 -39.68 80.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.907 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 9' ' ' ILE . 63.3 mt -74.45 -35.76 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 75.450000000000003 111.143 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -67.38 -48.28 67.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 111.132 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -26.53 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 54.130000000000003 110.851 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG3' HD11 ' A' ' 61' ' ' LEU . 43.9 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 70.239999999999995 110.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.416 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 7.3 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.37 . . . . 70.200000000000003 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.3 -38.37 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 63.299999999999997 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.8 -51.68 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 65.319999999999993 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.757 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 8.2 mt -72.58 -36.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -51.62 -40.46 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.83 -31.29 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 53.200000000000003 111.079 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.65 -44.94 39.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.95 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.0 m -65.13 -41.71 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 71.299999999999997 111.111 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.448 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.23 -38.47 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.954 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.1 -35.74 80.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 110.886 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -74.73 -49.4 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.744 HG22 HD22 ' A' ' 51' ' ' LEU . 78.5 t -56.22 -50.63 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.7 mt -47.92 -51.18 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.38 74.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.484 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.743 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.35 -50.37 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 65.109999999999999 110.909 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.931 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.23 4.32 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 53.409999999999997 110.94 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 49.91 88.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.540000000000006 110.903 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -89.8 173.0 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.93 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -121.69 -179.54 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 110.899 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -58.06 -37.3 74.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -71.1 -47.31 58.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.793 ' HB3' HD12 ' A' ' 23' ' ' LEU . 42.5 mm-40 -60.73 -37.97 83.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -73.35 -23.91 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.937 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -87.09 -30.41 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.908 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -98.86 23.31 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.020000000000003 111.129 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -96.42 157.5 15.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 64.140000000000001 110.938 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.479 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -161.37 160.07 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 54.109999999999999 110.879 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.49 -36.43 93.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 55.299999999999997 112.475 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -95.43 39.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 73.140000000000001 111.157 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -121.6 106.31 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 52.310000000000002 111.194 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -55.86 103.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.87 HD11 HG22 ' A' ' 74' ' ' VAL . 21.2 mt -66.2 -13.42 60.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.909 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.95 -48.77 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 111.108 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -84.85 -50.94 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.02 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 63.340000000000003 110.88 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 37' ' ' LEU . 30.0 m-85 -78.79 -2.8 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.869 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 54.15 38.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.902 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.931 HD21 HD13 ' A' ' 21' ' ' LEU . 55.6 mt -51.44 144.65 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 61.350000000000001 110.943 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -83.42 155.97 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.239999999999995 110.861 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.1 t -54.48 -26.38 30.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 65.319999999999993 110.907 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.11 -48.77 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 75.230000000000004 110.933 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -48.96 76.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.89 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.99 -42.83 69.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.219999999999999 110.966 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 45' ' ' SER . 80.5 t -57.77 -53.86 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 75.109999999999999 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.22 -28.98 70.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 110.831 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD22 HG22 ' A' ' 17' ' ' VAL . 9.4 mt -66.08 -58.4 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.61 -38.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 111.085 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.99 -41.72 81.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 110.887 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -61.58 -53.41 56.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 73.120000000000005 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -64.97 -37.23 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.947 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -58.05 -51.93 67.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 62.439999999999998 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.65 -29.91 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.420000000000002 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.31 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.530000000000001 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.757 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.4 m-85 -92.79 11.05 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 110.882 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 t 51.51 29.87 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.901 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 84' ' ' LYS . 59.7 tp -76.52 156.36 32.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.946 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -105.26 94.66 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.914 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.86 137.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 50.350000000000001 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.129999999999995 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.0 -41.25 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 75.310000000000002 110.904 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.81 -50.43 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 63.039999999999999 110.821 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.75 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 111.091 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -21.51 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.924 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -18.05 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.86 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 77' ' ' ILE . 58.7 mt -84.82 96.97 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 61.299999999999997 110.934 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' OE2' HG23 ' A' ' 73' ' ' THR . 2.0 pp20? -130.06 10.83 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.89 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.549 HG23 ' OE2' ' A' ' 72' ' ' GLU . 1.4 p -139.88 149.96 44.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 111.179 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 HD11 ' A' ' 37' ' ' LEU . 64.3 t -53.8 -55.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -52.84 -47.38 67.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 70.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.27 -50.36 73.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.4 ' HA ' HD22 ' A' ' 71' ' ' LEU . 11.5 mt -56.03 -55.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.009999999999998 111.148 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.4 t -57.23 -41.45 79.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.239999999999995 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.91 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.7 t80 -68.73 -42.12 78.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.98 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.498 ' CG2' HG21 ' A' ' 9' ' ' ILE . 63.1 mt -70.12 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 75.450000000000003 111.107 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.68 -46.31 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.09 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.5 t -54.47 -27.04 34.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.814 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.526 ' HG3' HD11 ' A' ' 61' ' ' LEU . 7.9 mmtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 110.913 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 70.200000000000003 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -52.7 -38.83 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 63.299999999999997 110.833 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.35 -51.4 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.917 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.788 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.68 -32.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 111.187 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.18 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 74.030000000000001 110.946 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.17 -31.28 68.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 53.200000000000003 111.104 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -75.69 -44.71 40.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.38 -41.51 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 111.208 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.66 -38.39 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 73.120000000000005 110.938 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.81 -37.09 83.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.918 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -74.9 -47.42 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 73.299999999999997 110.85 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 51' ' ' LEU . 49.1 t -56.63 -51.77 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.5 111.158 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.827 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.2 mt -49.0 -49.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 62.420000000000002 111.184 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.29 -23.35 74.03 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.030000000000001 112.492 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.739 ' HB3' HD23 ' A' ' 21' ' ' LEU . 2.3 t -64.7 -50.04 68.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 65.109999999999999 110.88 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.12 4.29 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 53.409999999999997 110.938 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 49.43 88.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.540000000000006 110.933 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -89.38 149.87 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.340000000000003 110.969 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.02 164.82 15.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 75.319999999999993 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.04 -38.0 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.929 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -72.12 -36.55 69.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 64.530000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -65.88 -31.34 72.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.884 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -74.96 -22.59 58.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.854 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -88.61 -31.44 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -95.27 23.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 63.020000000000003 111.143 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -99.68 153.51 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.140000000000001 110.983 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.04 151.47 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 54.109999999999999 110.826 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.55 85.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 55.299999999999997 112.522 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -95.62 38.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 73.140000000000001 111.104 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -128.55 107.69 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 52.310000000000002 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -53.8 105.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.882 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 74' ' ' VAL . 18.8 mt -66.46 -13.7 61.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.938 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.06 -48.32 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -85.15 -49.4 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 110.854 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.08 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 63.340000000000003 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.5 ' HE2' HD22 ' A' ' 37' ' ' LEU . 33.4 m-85 -78.69 -2.62 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 52.16 60.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.968 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 21' ' ' LEU . 31.9 mt -73.1 152.79 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 61.350000000000001 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.1 155.69 17.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.833 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 49' ' ' VAL . 38.2 t -54.92 -25.58 30.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 65.319999999999993 110.88 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.04 -36.31 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 75.230000000000004 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -46.29 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.894 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.25 -44.22 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.831 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' SER . 84.9 t -57.32 -52.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 111.164 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.36 -29.24 70.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.844 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 17' ' ' VAL . 10.0 mt -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.82 -38.7 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.131 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.58 -41.69 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.914 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -60.39 -53.72 54.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.120000000000005 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.491 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.0 mt -65.5 -37.86 88.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.903 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.46 -51.9 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 62.439999999999998 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.62 -31.9 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.919 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -57.63 -56.24 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.788 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.6 m-85 -96.73 10.94 37.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.510000000000005 110.859 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 51.86 29.16 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 110.796 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' A' ' 84' ' ' LYS . 61.2 tp -76.13 156.42 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.97 94.58 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.299999999999997 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 132.32 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.12 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 158.28 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 62.420000000000002 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.29 -33.51 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.856 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.908 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -70.6 -39.61 73.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.84 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -22.81 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.182 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -59.23 -20.89 57.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 13.73 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 110.872 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 80' ' ' TYR . 79.8 mt -122.09 120.51 34.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.885 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.38 -47.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.863 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.8 p -84.14 157.44 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.439999999999998 111.208 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 37' ' ' LEU . 44.5 t -56.65 -51.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 71.099999999999994 111.142 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.23 -42.62 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 70.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -63.69 -50.69 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 110.853 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.36 -55.85 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 62.009999999999998 111.173 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.2 t -54.74 -40.64 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -61.73 -49.22 77.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.7 t80 -59.45 -39.73 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.953 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 9' ' ' ILE . 77.8 mt -72.65 -35.64 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.450000000000003 111.144 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.16 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -54.42 -27.46 37.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 54.130000000000003 110.893 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.514 ' HG3' HD11 ' A' ' 61' ' ' LEU . 26.0 mmtm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.799 0.249 . . . . 74.430000000000007 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.3 110.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 71.25 112.503 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -116.23 -35.82 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 72.209999999999994 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp -55.68 -25.83 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.9 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.55 150.65 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 111.167 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.526 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 1.8 m -63.42 93.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 70.200000000000003 110.863 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.01 -29.47 67.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.299999999999997 110.928 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.71 -52.29 57.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 65.319999999999993 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.4 mt -72.58 -32.41 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 72.450000000000003 111.1 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -51.32 -40.74 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.921 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.61 -31.52 69.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 53.200000000000003 111.094 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.19 -46.33 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.939 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.6 m -64.4 -43.06 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.299999999999997 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.27 -37.55 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.881 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -68.08 -35.42 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.540000000000006 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -74.93 -41.86 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.877 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.908 HG11 HD13 ' A' ' 37' ' ' LEU . 76.4 t -63.17 -51.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.5 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 38.4 mt -49.17 -53.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.099 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.28 76.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.453 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -49.98 72.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 65.109999999999999 110.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.63 5.19 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.409999999999997 110.925 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 50.15 88.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.540000000000006 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.97 153.14 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.922 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -101.06 175.98 5.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.319999999999993 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.15 -41.54 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.82 -54.07 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.530000000000001 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.7 mm100 -57.21 -40.96 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.878 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -70.71 -22.54 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 110.935 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -89.44 -21.95 22.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -109.54 22.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 63.020000000000003 111.147 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -95.8 155.01 16.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.938 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -157.12 158.74 36.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.109999999999999 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.12 -30.55 77.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 55.299999999999997 112.454 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.0 p -99.59 39.0 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.916 0.388 . . . . 73.140000000000001 111.165 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -126.39 107.82 10.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.18 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -53.67 104.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 110.902 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.908 HD13 HG11 ' A' ' 17' ' ' VAL . 15.9 mt -67.86 -12.2 60.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.299999999999997 110.932 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -46.02 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 111.142 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -85.14 -51.48 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.893 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.62 -63.22 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.55 -3.79 45.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.893 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.1 47.74 24.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.5 110.905 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 76.9 mt -58.64 150.3 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 61.350000000000001 110.937 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -84.64 154.67 22.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 75.239999999999995 110.849 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 49' ' ' VAL . 70.6 p -55.22 -25.99 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 110.884 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.95 -48.53 36.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -48.83 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.881 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -51.75 -45.42 63.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.855 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -55.58 -52.22 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 111.151 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.1 mt -66.76 -58.55 4.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 73.319999999999993 110.881 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.0 pt -58.78 -38.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.49 -39.79 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.882 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -62.62 -53.49 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.8 mt -65.09 -37.44 87.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.25 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.62 -52.0 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.439999999999998 110.841 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.6 -29.47 64.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.868 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -60.78 -57.89 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.871 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.9 m-85 -95.18 10.81 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.510000000000005 110.867 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m 51.51 30.41 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.857 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.5 tp -76.26 155.54 34.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 74.25 110.93 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.36 94.67 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.299999999999997 110.88 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -99.87 143.61 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.123 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 m -112.32 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 62.420000000000002 110.855 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -75.67 -41.78 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -75.02 -32.49 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.83 -47.28 80.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.78 -23.18 63.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.127 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.61 -24.03 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 70.109999999999999 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.57 12.84 21.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 80' ' ' TYR . 74.8 mt -121.93 97.98 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -126.08 -37.62 2.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 73.519999999999996 110.9 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -86.86 158.37 19.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 72.439999999999998 111.141 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.844 HG22 HD11 ' A' ' 37' ' ' LEU . 21.6 t -60.3 -53.97 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.099999999999994 111.112 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.12 -50.54 70.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.519999999999996 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.2 -55.75 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 62.009999999999998 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.72 -38.72 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.907 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.67 -46.73 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.505 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.0 t80 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.889 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 9' ' ' ILE . 62.3 mt -73.61 -35.73 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.450000000000003 111.138 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -68.16 -46.12 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 111.111 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -54.37 -27.05 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.849 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -81.78 -30.33 32.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 70.239999999999995 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 t -82.38 -172.59 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.210000000000001 110.802 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -108.42 -37.36 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 64.319999999999993 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.16 132.33 50.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.89 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 70.239999999999995 111.109 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.115 0 CA-C-O 120.786 0.244 . . . . 74.430000000000007 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.98 -170.06 12.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 71.25 112.563 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -139.04 155.69 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 72.209999999999994 110.806 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -32.84 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.129999999999995 110.898 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.0 t -61.81 148.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 111.142 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 36.8 t -98.59 102.89 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 70.200000000000003 110.832 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.29 -33.93 55.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 63.299999999999997 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.54 -51.23 69.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 65.319999999999993 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.78 -32.4 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.450000000000003 111.105 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -40.44 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.914 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.46 69.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 53.200000000000003 111.138 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -75.28 -46.52 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.9 m -64.35 -42.93 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.089 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.59 74.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.829 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.31 -34.96 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.869 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -41.75 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.687 ' HA ' HD21 ' A' ' 51' ' ' LEU . 69.6 t -63.41 -51.57 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.5 111.138 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.824 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.0 mt -49.13 -52.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 62.420000000000002 111.141 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -23.22 76.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 43.030000000000001 112.452 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -50.16 71.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 65.109999999999999 110.897 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.37 4.62 31.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.929 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt 51.06 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.911 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.19 166.99 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.925 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -111.87 -170.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.319999999999993 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.57 -40.09 88.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.846 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.67 -47.84 68.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.530000000000001 110.888 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.6 mm100 -59.9 -38.34 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.885 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.7 -22.78 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 110.91 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -88.86 -27.72 20.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.85 22.2 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.020000000000003 111.057 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 153.2 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.875 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -155.14 159.18 39.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 54.109999999999999 110.833 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.59 -27.25 73.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 55.299999999999997 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -102.92 38.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 73.140000000000001 111.126 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m -125.46 107.64 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 52.310000000000002 111.154 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -54.15 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.969 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 74' ' ' VAL . 19.7 mt -66.28 -13.96 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.299999999999997 110.964 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.88 -49.05 13.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.111 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -84.63 -48.69 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.400000000000006 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.19 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.848 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.1 m-85 -78.92 -3.19 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.939 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.9 m120 54.62 38.32 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 51.4 mt -51.46 147.41 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.97 156.24 21.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.941 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.5 p -55.01 -26.31 36.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 65.319999999999993 110.848 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.06 -48.8 32.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.936 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -50.19 73.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 110.847 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.89 -46.33 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.219999999999999 110.902 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 95.2 t -56.08 -54.64 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 75.109999999999999 111.087 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.97 -29.06 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.8 mt -68.61 -58.14 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 73.319999999999993 110.992 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.5 pt -59.88 -36.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.136 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.7 mtp -69.07 -41.61 77.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.815 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -62.27 -50.49 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.85 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -67.11 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.97 -51.97 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 62.439999999999998 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -71.7 -31.23 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.420000000000002 110.88 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -59.21 -56.32 23.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 74.530000000000001 110.837 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.3 m-85 -96.68 10.34 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.888 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p 51.66 29.54 5.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 74.450000000000003 110.898 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.5 tp -75.39 155.22 36.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.944 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -103.86 94.58 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.299999999999997 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.86 138.7 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 50.350000000000001 111.114 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -108.98 -171.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.842 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.94 -37.59 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -74.87 -39.84 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.926 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -52.75 -49.79 64.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.9 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -20.61 57.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 70.109999999999999 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.92 -21.8 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.450000000000003 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 77' ' ' ILE . 65.1 mt -80.93 92.64 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 61.299999999999997 110.923 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 73' ' ' THR . 8.8 pt-20 -118.36 -30.1 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 72' ' ' GLU . 37.3 p -102.84 151.25 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 72.439999999999998 111.094 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 37' ' ' LEU . 34.0 t -53.49 -51.0 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 111.126 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -52.64 -42.73 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -65.87 -46.85 76.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.565 ' HA ' HD22 ' A' ' 71' ' ' LEU . 52.4 mt -60.74 -55.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 62.009999999999998 111.07 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.5 t -58.25 -40.36 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -63.32 -39.97 96.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.3 t80 -69.18 -38.31 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.968 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.513 HG22 HD13 ' A' ' 9' ' ' ILE . 82.9 mt -73.53 -40.19 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.77 -47.32 72.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.114 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -54.43 -27.11 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 32.2 mmtt -77.69 -40.61 40.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.902 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -54.68 -65.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 62.210000000000001 110.873 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -54.65 -56.3 20.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.319999999999993 110.876 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -115.93 87.64 2.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 61.420000000000002 110.863 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 70.239999999999995 111.118 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.124 0 CA-C-O 120.898 0.291 . . . . 74.430000000000007 112.356 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.83 72.26 1.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.762 -0.733 . . . . 71.25 112.453 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -114.41 146.95 39.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 72.209999999999994 110.867 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 30.3 ttm -77.24 -25.92 52.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.803 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -56.27 141.54 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 111.158 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.3 m -67.09 89.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.200000000000003 110.821 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -52.41 -29.67 25.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.299999999999997 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.45 -52.74 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 65.319999999999993 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.783 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.0 mt -72.66 -33.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 72.450000000000003 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -51.57 -40.89 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.030000000000001 110.846 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.55 -31.3 69.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 53.200000000000003 111.1 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.13 -46.78 32.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 75.200000000000003 110.891 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.6 m -63.92 -43.56 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 71.299999999999997 111.085 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.71 -37.57 76.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.864 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.77 -35.66 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 72.540000000000006 110.894 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -74.76 -40.43 61.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 110.896 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 37' ' ' LEU . 78.9 t -63.63 -52.76 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 75.5 111.101 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.836 ' HA ' HD23 ' A' ' 23' ' ' LEU . 31.6 mt -48.32 -52.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 62.420000000000002 111.154 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.14 -23.27 76.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 43.030000000000001 112.489 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.95 -50.88 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 65.109999999999999 110.852 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.46 5.63 31.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.971 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 50.88 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.28 160.97 14.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.9 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.438 HD21 ' NE2' ' A' ' 27' ' ' GLN . 2.4 p-10 -107.09 -178.16 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.865 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.02 -42.17 84.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 110.846 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.13 -54.09 39.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.74 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.1 mp0 -56.73 -37.73 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.329999999999998 110.886 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -74.59 -23.79 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.968 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -88.32 -21.4 24.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.902 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -108.4 22.6 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 63.020000000000003 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -96.05 158.92 15.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.948 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.465 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -161.1 159.93 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 54.109999999999999 110.862 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.15 -19.46 70.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 55.299999999999997 112.49 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 p -108.19 39.23 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 73.140000000000001 111.204 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 110.29 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.31 105.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.995 HD11 HG22 ' A' ' 74' ' ' VAL . 0.5 OUTLIER -66.99 -13.41 61.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.913 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.85 -45.1 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.04 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -52.86 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.858 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -50.5 -62.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 63.340000000000003 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -78.73 -2.83 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.864 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 m120 51.9 40.02 27.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 21' ' ' LEU . 42.7 mt -51.34 156.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.905 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -98.14 157.66 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 110.943 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 31.9 p -55.66 -25.15 37.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.319999999999993 110.831 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.92 -36.5 67.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -47.06 26.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.906 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -51.85 -46.57 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 74.219999999999999 110.834 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' SER . 72.5 t -54.75 -54.86 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 75.109999999999999 111.116 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -58.7 -32.2 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 71.129999999999995 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.2 mt -66.49 -58.09 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.319999999999993 110.946 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.04 -37.09 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 111.17 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.04 -42.36 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.9 p -62.52 -51.47 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 73.120000000000005 110.89 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -64.64 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 75.25 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD12 ' A' ' 63' ' ' ILE . 28.3 tt0 -59.19 -51.99 67.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 62.439999999999998 110.932 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.68 -27.74 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 70.420000000000002 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -62.51 -57.0 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 110.926 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.783 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.8 m-85 -95.43 11.07 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 t 51.64 29.37 5.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.867 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -75.18 155.02 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 74.25 110.951 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.33 94.37 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 65.299999999999997 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 ' HB2' ' A' ' 56' ' ' GLU . 64.2 mt -98.3 141.34 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 50.350000000000001 111.114 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 m -110.82 -171.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 62.420000000000002 110.852 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -77.87 -45.59 23.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.843 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.62 -30.91 61.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.310000000000002 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.77 -46.69 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 63.039999999999999 110.886 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -23.03 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 111.083 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.83 -20.2 55.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 70.109999999999999 110.944 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -111.46 10.25 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 80' ' ' TYR . 62.9 mt -122.24 95.3 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 61.299999999999997 110.899 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -123.61 -41.96 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 110.867 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.6 p -84.2 163.48 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 111.08 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.995 HG22 HD11 ' A' ' 37' ' ' LEU . 84.7 t -61.89 -55.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 71.099999999999994 111.134 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -54.39 -45.27 72.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.833 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.98 -50.52 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.905 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.9 mt -61.67 -55.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 62.009999999999998 111.158 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.45 -37.04 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.239999999999995 110.895 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -64.99 -49.11 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.614 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.7 t80 -60.41 -38.44 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.948 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.486 HG22 HD13 ' A' ' 9' ' ' ILE . 66.4 mt -74.56 -35.95 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.450000000000003 111.106 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.54 -45.51 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 111.069 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.2 t -54.44 -26.79 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 54.130000000000003 110.906 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' A' ' 61' ' ' LEU . 22.7 mmtm -81.29 -32.08 33.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.929 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -82.17 -173.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 62.210000000000001 110.911 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.0 m -119.05 26.63 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.319999999999993 110.937 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -105.75 38.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 61.420000000000002 110.896 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 70.239999999999995 111.108 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.859 0.275 . . . . 74.430000000000007 112.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.46 132.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 71.25 112.521 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -173.53 166.11 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 72.209999999999994 110.88 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -75.26 -33.68 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 110.904 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -51.53 148.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 72.329999999999998 111.154 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -63.82 93.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.847 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -58.67 -30.95 67.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 63.299999999999997 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.82 -52.6 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 65.319999999999993 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.81 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.54 -32.31 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 111.117 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.05 -40.6 58.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.886 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.82 -31.56 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.200000000000003 111.146 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.1 -46.28 35.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.200000000000003 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.7 m -64.69 -43.2 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 71.299999999999997 111.108 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.0 -37.47 75.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.845 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -68.36 -35.68 78.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.926 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -74.87 -40.89 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.299999999999997 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.878 HG11 HD13 ' A' ' 37' ' ' LEU . 74.2 t -63.71 -53.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 75.5 111.123 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 mt -48.19 -52.64 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.161 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.31 -23.16 76.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 43.030000000000001 112.485 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.05 -51.15 67.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 65.109999999999999 110.905 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.922 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.2 5.23 32.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 53.409999999999997 110.894 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 50.12 89.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.913 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.835 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -92.43 149.47 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 110.922 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -95.94 -179.66 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -49.36 70.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.899 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.22 -54.53 44.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.717 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.2 mm100 -54.46 -46.95 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -67.58 -22.63 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.882 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.99 -19.39 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -113.98 21.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 63.020000000000003 111.167 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.73 154.93 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 64.140000000000001 110.878 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.03 159.38 36.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 54.109999999999999 110.824 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.68 -30.67 76.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 55.299999999999997 112.503 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -100.08 38.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 73.140000000000001 111.157 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.02 107.55 10.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 52.310000000000002 111.151 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -53.66 103.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 110.844 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.878 HD13 HG11 ' A' ' 17' ' ' VAL . 18.5 mt -67.8 -12.25 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 73.299999999999997 110.948 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.22 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.519999999999996 111.083 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -85.1 -52.38 5.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.845 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -50.12 -63.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' HE2' HD22 ' A' ' 37' ' ' LEU . 38.3 m-85 -78.67 -2.98 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 51.57 47.5 24.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 74.5 110.893 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.922 HD21 HD13 ' A' ' 21' ' ' LEU . 31.7 mt -58.8 143.99 45.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 61.350000000000001 110.912 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.66 155.26 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 110.839 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 p -55.14 -26.04 35.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.857 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -72.73 -40.88 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.929 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -48.14 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 110.844 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.92 -49.09 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.892 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 45' ' ' SER . 98.6 t -52.95 -51.46 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -30.92 71.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.129999999999995 110.838 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.55 -58.24 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.967 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.0 pt -57.66 -38.55 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 111.179 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.57 -41.33 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.892 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 t -60.1 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.120000000000005 110.786 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.68 -37.82 87.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -56.29 -52.21 65.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 62.439999999999998 110.86 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -71.82 -31.99 67.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.420000000000002 110.907 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -57.14 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.530000000000001 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.8 m-85 -98.44 11.52 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.510000000000005 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t 51.58 29.46 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 74.450000000000003 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.513 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.6 tp -75.29 155.76 36.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.73 94.63 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.299999999999997 110.835 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 mt -103.07 137.48 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 50.350000000000001 111.186 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -112.42 159.25 18.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 62.420000000000002 110.862 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -51.86 -32.7 33.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -44.77 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.310000000000002 110.867 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -55.59 -39.98 71.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -23.19 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.39 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 70.109999999999999 110.898 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -110.72 3.71 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -112.94 112.27 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 61.299999999999997 110.868 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -137.43 -42.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.9 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 p -87.77 159.49 18.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.12 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 37' ' ' LEU . 21.5 t -59.36 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 71.099999999999994 111.12 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -52.64 -49.25 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 70.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -56.54 -50.44 71.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.57 -55.78 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.009999999999998 111.115 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.2 t -55.66 -37.99 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.239999999999995 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.12 -45.95 86.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' HD21 ' A' ' 61' ' ' LEU . 38.7 t80 -62.59 -39.66 94.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.926 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.462 HG22 HD13 ' A' ' 9' ' ' ILE . 81.5 mt -73.94 -35.77 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 75.450000000000003 111.147 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.77 81.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t -54.37 -26.79 32.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 54.130000000000003 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.8 mmtt -86.06 -51.51 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.912 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.3 m -114.72 127.83 55.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 62.210000000000001 110.808 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -118.38 -47.39 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 64.319999999999993 110.874 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -131.81 51.6 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 61.420000000000002 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 70.239999999999995 111.106 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.845 0.269 . . . . 74.430000000000007 112.382 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.95 -103.41 2.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 71.25 112.453 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -121.19 66.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 72.209999999999994 110.839 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 mtt -52.92 -56.88 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 72.129999999999995 110.81 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -93.07 138.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 111.169 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 2.2 m -65.12 91.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 70.200000000000003 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -54.36 -30.25 51.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.822 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.42 -52.74 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.477 . . . . 65.319999999999993 110.924 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.57 -32.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.450000000000003 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -51.66 -40.48 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.030000000000001 110.935 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.41 69.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 53.200000000000003 111.145 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.29 -46.17 35.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.815 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.1 m -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 71.299999999999997 111.204 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.01 -37.78 75.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.891 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -68.26 -34.97 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 72.540000000000006 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 p -74.83 -40.77 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 110.802 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 37' ' ' LEU . 75.1 t -63.8 -53.0 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.5 111.14 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.82 ' HA ' HD23 ' A' ' 23' ' ' LEU . 60.6 mt -48.6 -52.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 62.420000000000002 111.118 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.38 -23.07 76.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.756 . . . . 43.030000000000001 112.536 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.4 -50.25 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 65.109999999999999 110.923 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.919 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 4.85 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 53.409999999999997 110.887 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 51.8 91.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -96.58 165.67 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.926 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.43 172.78 6.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.876 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -55.03 -25.95 33.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 64.319999999999993 110.934 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.8 -43.65 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 64.530000000000001 110.915 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.721 ' CB ' HD12 ' A' ' 23' ' ' LEU . 2.2 mp0 -71.29 -25.27 62.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.912 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -75.63 -44.89 40.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 73.129999999999995 110.821 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.566 ' HG3' HG23 ' A' ' 30' ' ' ILE . 3.8 pt20 -65.95 -23.23 66.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.925 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 29' ' ' GLN . 2.1 pp -105.87 19.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 63.020000000000003 111.13 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.95 148.35 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 64.140000000000001 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -155.98 159.33 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 54.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.96 92.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 55.299999999999997 112.433 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 p -93.95 39.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 73.140000000000001 111.103 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -124.88 105.34 9.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 52.310000000000002 111.119 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -53.58 105.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 110.919 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.913 HD11 HG22 ' A' ' 74' ' ' VAL . 7.2 mt -66.97 -13.02 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.904 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.66 -47.36 12.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 74.519999999999996 111.113 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -84.9 -50.84 7.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.96 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.65 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 63.340000000000003 110.884 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -78.75 -2.87 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.909 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 53.51 39.86 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 74.5 110.818 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 21' ' ' LEU . 45.4 mt -52.5 155.07 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 61.350000000000001 110.901 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.54 157.94 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.88 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 18.0 m -55.23 -26.17 37.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 65.319999999999993 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.93 -48.65 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 75.230000000000004 110.948 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -49.11 78.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.826 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -51.79 -48.34 63.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 94.2 t -54.58 -52.04 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.109999999999999 111.105 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.47 -30.14 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.898 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.681 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.7 mt -68.51 -58.18 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -38.29 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 111.143 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.66 -41.0 79.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.85 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.23 -53.28 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.918 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD1' HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.35 -37.92 88.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.865 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -57.18 -52.13 66.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 110.843 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.54 -30.97 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 70.420000000000002 110.852 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.83 -57.6 12.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.7 m-85 -95.39 11.12 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 110.851 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.54 29.85 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 110.842 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.515 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.1 tp -76.2 155.83 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.25 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -104.87 94.61 5.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 65.299999999999997 110.849 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.03 137.97 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 50.350000000000001 111.219 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -111.98 171.95 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 62.420000000000002 110.837 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -62.05 -39.9 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.129999999999995 110.909 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.95 -33.96 62.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.921 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.12 -48.11 76.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 63.039999999999999 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.99 -23.02 64.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.44 -24.11 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.109999999999999 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -111.52 13.46 21.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.450000000000003 110.9 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 80' ' ' TYR . 81.4 mt -122.88 99.16 6.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 61.299999999999997 110.985 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -123.44 -37.73 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -93.08 153.31 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.439999999999998 111.144 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.913 HG22 HD11 ' A' ' 37' ' ' LEU . 39.0 t -52.61 -52.13 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.087 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -52.92 -40.85 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 70.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -48.96 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.39 -55.02 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.185 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.4 t -55.63 -43.31 76.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.846 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -61.48 -45.92 92.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.0 t80 -62.1 -38.26 88.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.889 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.516 HG22 HD13 ' A' ' 9' ' ' ILE . 80.5 mt -74.67 -35.82 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 111.119 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -65.44 -45.71 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.319999999999993 111.111 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -54.45 -26.62 32.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 54.130000000000003 110.83 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HD11 ' A' ' 61' ' ' LEU . 19.9 mmtm -86.71 -55.75 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 70.239999999999995 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.66 56.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 62.210000000000001 110.81 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -72.49 -29.4 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.92 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.4 t0 62.97 45.81 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 61.420000000000002 110.867 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 70.239999999999995 111.135 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.761 0.234 . . . . 74.430000000000007 112.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.1 -169.05 24.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.503 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -130.2 141.37 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 72.209999999999994 110.833 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.3 mmm -75.71 -25.66 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 72.129999999999995 110.898 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.07 147.76 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -64.63 93.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 70.200000000000003 110.897 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -30.15 63.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 63.299999999999997 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.16 -51.93 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 110.866 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 12.2 mt -72.4 -32.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 72.450000000000003 111.19 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -39.62 63.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.899 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.79 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 53.200000000000003 111.137 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.51 -45.92 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 110.84 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.7 m -64.33 -42.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.299999999999997 111.098 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.54 -37.62 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.923 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -67.97 -35.43 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.540000000000006 110.903 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -75.1 -40.74 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.299999999999997 110.882 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 37' ' ' LEU . 68.9 t -63.29 -51.39 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 75.5 111.105 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.5 mt -49.38 -52.78 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 62.420000000000002 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.49 -23.03 76.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 43.030000000000001 112.536 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -50.5 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 65.109999999999999 110.832 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.94 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.35 3.79 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 53.409999999999997 110.938 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mttm 52.91 92.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.897 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -98.67 168.29 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 110.898 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.432 HD21 ' NE2' ' A' ' 27' ' ' GLN . 2.6 p30 -117.6 -179.35 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.319999999999993 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.38 -31.84 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.12 -55.5 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 64.530000000000001 110.873 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.744 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.5 -35.06 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.956 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -73.19 -22.75 60.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -88.98 -28.27 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.945 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -100.95 22.56 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 63.020000000000003 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 153.86 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 110.926 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.52 146.13 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 54.109999999999999 110.861 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.22 -30.41 61.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 55.299999999999997 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -98.14 38.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 111.163 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -127.85 108.93 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 52.310000000000002 111.157 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -54.12 104.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 71.140000000000001 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.897 HD11 HG22 ' A' ' 74' ' ' VAL . 19.1 mt -66.13 -13.49 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 73.299999999999997 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 -49.35 12.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.519999999999996 111.138 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -85.32 -49.91 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.400000000000006 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -50.56 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 63.340000000000003 110.897 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HE2' HD22 ' A' ' 37' ' ' LEU . 24.7 m-85 -78.6 -2.76 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.844 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.95 42.97 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.852 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.94 HD21 HD13 ' A' ' 21' ' ' LEU . 45.7 mt -56.96 151.32 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 61.350000000000001 110.973 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.06 154.37 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 28.5 p -53.52 -27.1 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.319999999999993 110.843 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.8 -48.68 36.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 75.230000000000004 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -49.26 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.909 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -53.06 -45.07 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.865 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 91.0 t -55.54 -55.75 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.126 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -59.77 -30.61 68.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.8 mt -66.45 -57.98 6.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.1 pt -62.62 -37.09 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.094 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 mtp -68.0 -41.75 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.863 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -63.42 -52.02 63.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.89 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CD2' HG12 ' A' ' 13' ' ' VAL . 9.2 mt -62.28 -41.93 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.25 110.973 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.746 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -57.68 -52.22 66.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.439999999999998 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -72.15 -22.69 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.420000000000002 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -67.51 -55.58 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 76.3 m-85 -92.99 16.21 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.510000000000005 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 52.07 26.58 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.450000000000003 110.878 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.99 165.82 24.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.867 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 93.93 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 110.874 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 56' ' ' GLU . 63.3 mt -99.87 138.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 50.350000000000001 111.17 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.02 -172.8 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.84 -39.35 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.867 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.34 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.94 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -58.13 -36.17 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 63.039999999999999 110.929 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -23.14 62.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.062 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.61 -18.36 59.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 70.109999999999999 110.954 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -111.64 12.01 21.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' A' ' 77' ' ' ILE . 44.2 mt -122.56 111.12 16.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 61.299999999999997 110.914 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.87 -46.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.519999999999996 110.92 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 p -91.8 159.6 15.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 72.439999999999998 111.17 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 HD11 ' A' ' 37' ' ' LEU . 25.3 t -58.21 -53.24 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.099999999999994 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.77 -47.25 67.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -58.91 -48.18 82.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.838 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.631 ' HA ' HD22 ' A' ' 71' ' ' LEU . 20.4 mt -59.24 -55.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 62.009999999999998 111.181 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.2 t -54.89 -37.46 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.861 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -46.69 79.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.904 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.515 ' CB ' HD21 ' A' ' 71' ' ' LEU . 31.5 t80 -61.81 -39.34 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.902 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.668 HG22 HD13 ' A' ' 9' ' ' ILE . 79.6 mt -74.75 -36.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 111.129 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.94 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.134 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -54.44 -26.53 31.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 54.130000000000003 110.828 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -83.55 -29.32 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.917 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -86.09 -172.59 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 62.210000000000001 110.848 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -70.99 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.89 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.9 t0 56.94 45.23 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 61.420000000000002 110.82 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 70.239999999999995 111.124 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.093 0 CA-C-O 120.819 0.258 . . . . 74.430000000000007 112.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.26 164.57 13.21 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.753 -0.737 . . . . 71.25 112.514 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -158.63 159.34 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 72.209999999999994 110.813 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.4 -25.6 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.129999999999995 110.886 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -70.13 134.17 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -90.14 111.0 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 70.200000000000003 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.61 -35.4 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 63.299999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -60.83 -51.27 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 65.319999999999993 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.8 -32.48 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.075 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -40.26 60.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.922 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.86 -31.72 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 53.200000000000003 111.141 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -75.44 -45.35 39.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.864 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.9 m -66.03 -41.98 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 111.125 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -71.01 -37.45 72.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.901 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.540000000000006 110.875 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 p -74.96 -42.34 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.299999999999997 110.908 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.691 ' HA ' HD21 ' A' ' 51' ' ' LEU . 61.0 t -63.51 -53.24 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 75.5 111.064 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.832 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.5 mt -48.34 -52.4 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.144 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.21 76.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 43.030000000000001 112.482 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.66 -50.9 67.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 65.109999999999999 110.921 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.59 6.44 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 53.409999999999997 110.881 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt 50.05 89.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.540000000000006 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -92.86 154.87 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.919 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -96.84 -169.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.935 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.17 -50.51 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 110.809 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -61.3 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 64.530000000000001 110.913 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -57.71 -40.37 79.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 110.917 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -72.75 -22.57 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.91 -24.9 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.439999999999998 110.917 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.1 pp -101.84 23.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 63.020000000000003 111.079 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -100.04 149.95 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -161.21 159.75 29.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.109999999999999 110.82 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.66 -16.8 61.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 55.299999999999997 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.5 p -111.46 38.96 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 73.140000000000001 111.107 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -129.44 114.42 16.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 52.310000000000002 111.109 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -59.82 106.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 71.140000000000001 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 74' ' ' VAL . 3.2 mp -67.41 -15.1 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.936 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.02 -44.25 12.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.519999999999996 111.085 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.884 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.75 -61.96 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 63.340000000000003 110.857 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -79.05 -2.79 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 110.888 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.9 t30 51.83 44.09 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.5 110.859 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.081 HD21 HD13 ' A' ' 21' ' ' LEU . 84.8 mt -57.99 153.66 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.350000000000001 110.968 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 156.39 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.882 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.658 ' O ' HG23 ' A' ' 49' ' ' VAL . 14.8 t -54.52 -26.36 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.84 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.86 -44.35 61.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.230000000000004 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -49.41 71.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.1 -50.19 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 74.219999999999999 110.819 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 45' ' ' SER . 70.9 t -52.47 -51.94 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.109999999999999 111.113 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.54 -31.17 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 71.129999999999995 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.1 mt -68.08 -58.23 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.915 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.45 -38.42 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.179 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.06 -40.08 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.84 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -61.56 -53.42 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.120000000000005 110.904 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.3 mt -66.07 -38.0 87.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.905 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.07 -51.88 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 62.439999999999998 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.59 -32.26 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 70.420000000000002 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -57.71 -55.65 32.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -97.64 10.48 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.510000000000005 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.57 30.11 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.450000000000003 110.87 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.76 155.52 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 74.25 110.932 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -102.55 94.66 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.299999999999997 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -102.41 142.67 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.350000000000001 111.119 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -112.05 -170.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.420000000000002 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.38 -44.12 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.848 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.88 -27.06 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.07 -43.09 95.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 63.039999999999999 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.83 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 111.05 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.98 45.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 70.109999999999999 110.905 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 13.74 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.908 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.0 mt -127.85 88.76 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 61.299999999999997 110.837 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -118.31 -30.38 5.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.519999999999996 110.839 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -99.22 160.95 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 111.166 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.79 HG23 HD11 ' A' ' 37' ' ' LEU . 95.5 t -58.86 -45.69 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.432 . . . . 71.099999999999994 111.127 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -60.21 -48.71 80.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.87 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.454 ' HA ' HD22 ' A' ' 71' ' ' LEU . 37.8 mt -60.64 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.009999999999998 111.159 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.8 t -56.39 -40.47 74.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.885 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -62.66 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 72.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.625 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.0 t80 -65.43 -38.75 90.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.892 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.456 ' CG2' HG21 ' A' ' 9' ' ' ILE . 78.1 mt -73.88 -35.95 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.450000000000003 111.107 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.74 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 111.096 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -54.38 -27.17 34.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 54.130000000000003 110.888 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HG3' HD11 ' A' ' 61' ' ' LEU . 30.6 mmtt -80.73 -34.25 34.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 70.239999999999995 110.939 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -85.95 -174.29 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 62.210000000000001 110.836 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.6 t -118.91 28.92 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 64.319999999999993 110.881 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 61.93 29.65 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 61.420000000000002 110.836 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 70.239999999999995 111.066 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.465 -0.183 0 CA-C-O 120.878 0.283 . . . . 74.430000000000007 112.417 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.31 176.04 18.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 71.25 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -137.39 96.66 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 72.209999999999994 110.898 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 tpt -90.39 -25.99 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 72.129999999999995 110.855 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 t -69.24 155.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 72.329999999999998 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.507 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.6 t -51.25 103.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 70.200000000000003 110.908 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.49 -33.76 74.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 63.299999999999997 110.838 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.11 -49.98 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 65.319999999999993 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.79 -32.32 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 72.450000000000003 111.168 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -51.77 -40.71 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.913 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.52 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 111.093 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.43 -45.89 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 110.913 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.9 m -65.04 -42.78 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 71.299999999999997 111.16 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.28 -37.45 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.120000000000005 110.902 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.47 -35.18 77.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -74.9 -41.89 58.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 37' ' ' LEU . 71.3 t -63.29 -51.32 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.2 mt -49.35 -53.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 62.420000000000002 111.076 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.21 -23.19 76.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 43.030000000000001 112.536 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -50.21 71.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 65.109999999999999 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 4.71 30.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 53.409999999999997 110.886 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mttt 51.25 90.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.540000000000006 110.921 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.52 157.64 15.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 71.340000000000003 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -100.71 -175.41 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.21 -43.23 99.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.868 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.21 -53.95 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.530000000000001 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -53.36 -41.03 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.917 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -72.73 -24.11 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -87.36 -15.75 36.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.943 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -115.05 22.6 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 63.020000000000003 111.141 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.67 155.32 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.140000000000001 110.953 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.41 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.3 t -157.1 159.14 37.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 54.109999999999999 110.861 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.56 -33.11 86.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 55.299999999999997 112.51 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -98.19 39.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 73.140000000000001 111.169 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.2 m -126.3 108.42 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 52.310000000000002 111.162 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -55.85 105.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.883 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 74' ' ' VAL . 6.8 mt -67.69 -12.44 60.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.931 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.52 -45.19 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.519999999999996 111.085 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -85.32 -51.44 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.400000000000006 110.935 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -51.22 -63.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.816 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.39 -3.4 43.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 73.129999999999995 110.859 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 51.6 62.81 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 48.3 mt -72.97 155.42 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 61.350000000000001 110.952 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.07 154.92 18.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.942 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -53.13 -28.35 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 65.319999999999993 110.836 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 mt -72.78 -48.77 35.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.91 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.33 76.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.896 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.65 -47.66 63.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 45' ' ' SER . 85.3 t -52.11 -52.52 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 111.099 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.3 -31.77 72.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 110.887 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.3 mt -66.41 -58.25 5.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -58.82 -38.7 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 111.165 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.6 -41.88 78.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.952 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -60.0 -53.53 56.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.465 . . . . 73.120000000000005 110.866 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.1 mt -65.2 -38.51 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.75 -52.22 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 62.439999999999998 110.873 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.94 -31.18 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -57.67 -54.71 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.861 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.797 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.3 m-85 -100.11 11.47 39.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.425 . . . . 75.510000000000005 110.87 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.65 29.61 5.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 110.902 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 80' ' ' TYR . 63.9 tp -75.6 155.72 35.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -104.81 94.59 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 65.299999999999997 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 mt -101.62 141.26 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 50.350000000000001 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -112.44 -170.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 110.814 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.55 -42.51 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 74.129999999999995 110.896 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.54 -31.92 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -57.84 -46.55 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 63.039999999999999 110.835 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.26 -22.11 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -24.84 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 70.109999999999999 110.889 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 10.83 20.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 74.450000000000003 110.897 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 80' ' ' TYR . 69.4 mt -118.97 96.34 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 61.299999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.12 -37.91 2.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.519999999999996 110.862 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.5 p -90.54 159.01 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.878 HG22 HD11 ' A' ' 37' ' ' LEU . 98.0 t -58.8 -50.23 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 111.07 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.32 -45.52 80.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 70.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.66 -50.49 70.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.811 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HA ' HD22 ' A' ' 71' ' ' LEU . 28.5 mt -59.73 -55.73 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 111.202 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -57.65 -34.22 69.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.928 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -67.71 -42.28 82.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.666 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.7 t80 -67.89 -38.29 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.93 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 64.4 mt -74.73 -44.03 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.450000000000003 111.223 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -61.81 -46.51 89.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.168 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -26.73 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 54.130000000000003 110.844 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -80.59 -51.36 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 70.239999999999995 110.94 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -52.17 -31.64 32.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 62.210000000000001 110.851 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -55.73 -31.68 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -121.99 62.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 61.420000000000002 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 111.105 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.8 0.25 . . . . 74.430000000000007 112.395 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.14 141.61 15.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.496 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -54.18 105.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 72.209999999999994 110.913 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.5 tpt -61.8 -33.06 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.866 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -73.17 149.12 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.329999999999998 111.11 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 3.4 m -78.58 90.93 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.200000000000003 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -52.09 -29.96 23.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 63.299999999999997 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.3 -52.59 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.319999999999993 110.905 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.781 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.9 mt -72.71 -33.11 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 111.098 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -52.4 -40.01 61.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.08 -31.38 68.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 53.200000000000003 111.043 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.69 -44.72 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 75.200000000000003 110.923 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.4 m -65.32 -41.71 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 71.299999999999997 111.191 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.425 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.34 -38.43 68.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 73.120000000000005 110.894 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.03 -36.19 81.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 72.540000000000006 110.855 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -74.02 -49.28 25.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.846 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.721 HG22 HD22 ' A' ' 51' ' ' LEU . 72.3 t -56.46 -51.01 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 75.5 111.069 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.818 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.8 mt -47.88 -50.22 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 62.420000000000002 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.38 73.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.711 . . . . 43.030000000000001 112.487 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -64.52 -49.82 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 65.109999999999999 110.891 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.899 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.57 3.1 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.409999999999997 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 89.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.87 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -90.65 166.69 13.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 71.340000000000003 110.948 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -112.37 -171.63 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -34.3 77.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 110.833 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.12 -49.44 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 64.530000000000001 110.825 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 23' ' ' LEU . 10.9 mm-40 -59.42 -43.71 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 74.329999999999998 110.916 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.02 -24.38 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.39 -29.12 23.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.439999999999998 110.969 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.31 20.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.194 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -91.7 154.67 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 110.869 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.439 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.2 t -158.6 158.17 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.58 -31.01 78.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 55.299999999999997 112.511 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 p -99.6 38.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 73.140000000000001 111.118 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.1 m -125.42 106.5 9.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 52.310000000000002 111.165 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -53.8 104.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.140000000000001 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 74' ' ' VAL . 19.6 mt -67.12 -12.86 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 73.299999999999997 110.914 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.25 -47.61 12.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.109 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -50.79 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -64.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 63.340000000000003 110.934 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' HE2' HD22 ' A' ' 37' ' ' LEU . 34.3 m-85 -78.82 -2.49 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 110.873 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 t30 52.37 43.27 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 21' ' ' LEU . 36.9 mt -54.9 146.63 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 61.350000000000001 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.17 155.85 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 75.239999999999995 110.879 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.9 p -54.9 -26.84 38.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.906 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 mt -72.88 -48.79 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -48.85 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 110.878 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -53.43 -41.91 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.861 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 45' ' ' SER . 98.3 t -58.06 -54.39 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.128 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.16 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.129999999999995 110.891 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.07 -58.59 5.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.919 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -61.18 -38.87 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.122 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 mtp -68.13 -40.9 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.901 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -61.63 -52.66 63.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 73.120000000000005 110.84 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.3 mt -66.67 -37.06 83.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.933 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -57.89 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 62.439999999999998 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.44 -32.66 68.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -58.03 -59.79 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.530000000000001 110.85 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.7 m-85 -93.32 10.34 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 75.510000000000005 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m 51.76 29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.450000000000003 110.905 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.51 HD21 ' CE1' ' A' ' 80' ' ' TYR . 59.2 tp -75.04 156.42 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 74.25 110.917 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.78 94.61 5.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 65.299999999999997 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.54 142.32 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 50.350000000000001 111.156 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -111.09 -171.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 110.871 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.87 -37.07 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.869 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -74.91 -40.41 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -53.35 -48.5 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 63.039999999999999 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.79 62.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 111.096 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -21.31 54.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.904 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.49 -18.04 13.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 77' ' ' ILE . 79.1 mt -86.45 94.03 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 61.299999999999997 110.904 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 73' ' ' THR . 10.4 pt-20 -119.8 -33.08 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.955 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 72' ' ' GLU . 39.5 p -96.39 153.94 17.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 111.116 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.894 HG22 HD11 ' A' ' 37' ' ' LEU . 26.3 t -55.47 -51.95 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 71.099999999999994 111.08 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -52.75 -49.78 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.73 -49.5 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.3 mt -59.43 -55.8 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.009999999999998 111.106 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.23 -43.46 78.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.879 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.96 -42.86 95.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.51 ' CE1' HD21 ' A' ' 61' ' ' LEU . 37.4 t80 -64.94 -40.8 95.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 74.129999999999995 110.967 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 9' ' ' ILE . 83.6 mt -71.49 -35.82 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 75.450000000000003 111.146 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -69.42 -46.6 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 74.319999999999993 111.097 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -54.28 -26.78 31.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 54.130000000000003 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HG3' HD11 ' A' ' 61' ' ' LEU . 23.0 mmtm -82.75 -35.02 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 70.239999999999995 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -71.21 -170.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 62.210000000000001 110.855 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 p -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.834 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 58.83 31.07 20.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 61.420000000000002 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 111.127 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.85 0.271 . . . . 74.430000000000007 112.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.87 -162.04 32.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 71.25 112.46 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -134.34 35.12 3.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.9 0.381 . . . . 72.209999999999994 110.847 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.0 mtm -85.0 -40.47 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.817 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.75 144.1 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.329999999999998 111.116 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -85.96 106.15 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.200000000000003 110.86 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.17 -34.05 73.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 63.299999999999997 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.42 -51.32 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.863 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.806 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.2 mt -72.66 -32.13 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.450000000000003 111.101 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -51.21 -40.57 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.846 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.74 -31.79 69.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 53.200000000000003 111.107 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -75.3 -45.55 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.915 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.6 m -65.79 -42.21 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 71.299999999999997 111.167 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.454 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -70.83 -37.2 73.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 110.877 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -69.56 -35.15 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.540000000000006 110.868 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -75.0 -42.15 58.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.82 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.698 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.0 t -63.86 -51.62 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.075 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.1 mt -49.45 -52.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.19 75.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.722 . . . . 43.030000000000001 112.455 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -50.58 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 65.109999999999999 110.905 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.42 5.04 31.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 53.409999999999997 110.933 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.01 91.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 110.957 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -97.33 169.4 9.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -115.97 -175.09 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.924 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.05 -35.74 81.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.848 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.63 -48.0 43.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 64.530000000000001 110.908 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' LEU . 40.2 mm-40 -58.74 -34.32 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.329999999999998 110.881 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -74.8 -22.54 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.09 -30.39 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 pp -93.66 18.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 63.020000000000003 111.162 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -96.86 155.69 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.140000000000001 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.609 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.08 159.68 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.109999999999999 110.839 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.36 -19.06 63.91 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 55.299999999999997 112.546 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.3 p -113.73 38.98 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 73.140000000000001 111.124 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -123.49 110.7 15.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 52.310000000000002 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -55.35 104.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 74' ' ' VAL . 2.8 mp -67.98 -14.63 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.299999999999997 110.925 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.21 -44.25 14.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.099 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -84.59 -51.7 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 74.400000000000006 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.28 -63.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.86 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -78.77 -3.04 42.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.951 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t30 52.7 46.52 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.5 110.868 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 21' ' ' LEU . 81.0 mt -60.24 154.17 20.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 110.882 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.89 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.7 t -53.42 -27.76 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 65.319999999999993 110.838 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.21 -49.09 29.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.955 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -50.15 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.875 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.54 -49.1 65.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 45' ' ' SER . 87.9 t -53.15 -51.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 111.13 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -31.3 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.848 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.4 mt -67.63 -58.4 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.956 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 pt -58.25 -38.31 67.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 111.167 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.3 mtp -69.44 -39.66 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.86 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 t -61.34 -53.7 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -66.21 -38.84 88.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.858 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.17 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 62.439999999999998 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.84 -31.84 66.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.420000000000002 110.848 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -57.17 -55.24 37.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 110.87 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.806 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.4 m-85 -99.36 11.28 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.817 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t 51.58 29.59 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.86 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 84' ' ' LYS . 64.3 tp -75.41 155.63 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -103.78 94.56 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 65.299999999999997 110.897 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.95 139.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 50.350000000000001 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -112.49 -171.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.67 -35.2 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.859 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.0 -41.62 59.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -55.72 -53.05 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 110.853 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.16 -22.63 62.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 111.099 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -20.43 50.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 70.109999999999999 110.869 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.77 -17.61 13.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 110.892 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 77' ' ' ILE . 93.2 mt -86.14 92.11 8.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.531 ' OE1' HG23 ' A' ' 73' ' ' THR . 2.4 pp20? -122.65 -4.89 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.519999999999996 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.531 HG23 ' OE1' ' A' ' 72' ' ' GLU . 1.4 p -123.2 154.81 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.147 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 37' ' ' LEU . 95.4 t -55.77 -54.33 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 71.099999999999994 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -54.75 -46.31 74.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.64 -50.45 72.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 110.879 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.699 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.0 mt -58.43 -55.82 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 111.088 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.8 t -58.07 -42.84 86.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.472 . . . . 72.239999999999995 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -59.78 -39.4 84.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.544 ' HB2' HD21 ' A' ' 71' ' ' LEU . 35.7 t80 -69.05 -41.35 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.955 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 9' ' ' ILE . 77.3 mt -70.52 -36.91 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 75.450000000000003 111.134 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.06 69.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 74.319999999999993 111.074 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.3 t -54.65 -26.71 34.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 54.130000000000003 110.796 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG3' HD11 ' A' ' 61' ' ' LEU . 56.0 mmtt -78.41 -44.48 24.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 70.239999999999995 110.902 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -56.39 -54.15 48.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.210000000000001 110.858 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t -55.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.319999999999993 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.79 167.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 61.420000000000002 110.874 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 70.239999999999995 111.051 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.778 0.241 . . . . 74.430000000000007 112.41 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.89 121.75 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 71.25 112.472 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -171.78 136.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 72.209999999999994 110.823 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.3 tpt -57.03 -25.29 58.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.129999999999995 110.839 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.16 149.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.329999999999998 111.094 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -84.36 104.25 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.200000000000003 110.864 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.49 -33.7 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.299999999999997 110.798 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.04 -51.42 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 65.319999999999993 110.846 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.4 mt -72.75 -32.19 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.097 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -51.76 -40.17 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.07 -31.69 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 53.200000000000003 111.056 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -75.43 -45.06 41.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 110.869 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 17' ' ' VAL . 27.0 m -66.15 -42.08 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.299999999999997 111.155 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.418 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -71.02 -37.39 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 73.120000000000005 110.89 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.25 -35.43 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.874 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.2 t -74.92 -41.94 58.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.958 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.69 ' HA ' HD21 ' A' ' 51' ' ' LEU . 64.2 t -63.87 -52.75 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 75.5 111.145 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 23' ' ' LEU . 49.2 mt -48.83 -51.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.148 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -23.2 75.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 43.030000000000001 112.555 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -64.16 -50.63 67.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 65.109999999999999 110.843 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.994 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.82 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 53.409999999999997 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 52.79 92.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 75.540000000000006 110.881 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -99.46 175.0 6.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 71.340000000000003 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -118.47 -176.34 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.319999999999993 110.887 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.78 -33.36 75.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 64.319999999999993 110.838 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.29 -49.73 16.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 64.530000000000001 110.896 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 23' ' ' LEU . 11.0 mm100 -54.11 -27.78 35.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.329999999999998 110.917 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -74.76 -32.02 61.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 73.129999999999995 110.866 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.64 -51.0 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 72.439999999999998 110.879 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.86 -27.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.020000000000003 111.152 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 12.4 tp -52.19 158.97 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 64.140000000000001 110.865 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.24 159.54 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 54.109999999999999 110.879 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.76 -13.71 59.51 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 55.299999999999997 112.519 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.9 p -121.07 38.73 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 73.140000000000001 111.151 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -125.36 108.8 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 52.310000000000002 111.096 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.48 105.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD11 HG23 ' A' ' 74' ' ' VAL . 4.0 mp -68.1 -14.91 63.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 -44.42 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 74.519999999999996 111.074 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -84.32 -50.64 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.968 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -51.59 -62.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.847 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.457 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 26.7 m-85 -78.75 -7.54 57.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.03 37.16 24.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.994 HD21 HD13 ' A' ' 21' ' ' LEU . 72.1 mt -51.44 151.0 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 61.350000000000001 110.913 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 156.61 16.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.239999999999995 110.916 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.5 m -53.46 -27.32 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 65.319999999999993 110.906 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.1 mt -73.0 -48.82 33.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 75.230000000000004 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -50.3 73.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.875 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.05 -49.95 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 74.219999999999999 110.893 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 45' ' ' SER . 83.6 t -52.28 -52.15 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 75.109999999999999 111.129 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 110.943 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.3 mt -67.99 -58.21 4.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.881 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 pt -58.53 -38.18 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 111.113 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -69.21 -38.54 78.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.86 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.4 t -63.18 -53.28 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.120000000000005 110.877 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.0 mt -66.44 -37.37 85.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.47 -51.91 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.439999999999998 110.911 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.81 -31.31 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.01 -56.55 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.811 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.53 10.5 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.510000000000005 110.875 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 t 51.65 29.55 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.450000000000003 110.894 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 84' ' ' LYS . 62.3 tp -76.11 156.01 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.39 94.6 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.943 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.83 138.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 50.350000000000001 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.45 159.09 19.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 62.420000000000002 110.806 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.06 -36.61 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 74.129999999999995 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.04 -38.02 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -58.91 -37.5 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 63.039999999999999 110.85 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.25 -23.14 62.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.140000000000001 111.031 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -60.24 -19.79 56.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.109999999999999 110.94 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -111.05 10.87 22.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.450000000000003 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 80' ' ' TYR . 58.3 mt -122.87 94.64 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 61.299999999999997 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.1 -36.83 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.863 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 p -92.14 164.24 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 72.439999999999998 111.165 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.752 HG23 HD11 ' A' ' 37' ' ' LEU . 92.4 t -61.79 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.099999999999994 111.155 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.76 -43.47 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -50.56 73.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.519999999999996 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.608 ' HA ' HD22 ' A' ' 71' ' ' LEU . 35.2 mt -62.07 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 62.009999999999998 111.093 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.19 -42.02 72.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.898 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -60.47 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.608 ' HB2' HD21 ' A' ' 71' ' ' LEU . 36.6 t80 -57.68 -41.79 82.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.129999999999995 110.88 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 9' ' ' ILE . 79.8 mt -70.67 -35.8 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 75.450000000000003 111.101 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -27.49 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 54.130000000000003 110.789 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HG3' HD11 ' A' ' 61' ' ' LEU . 28.0 mmtt -80.23 -57.67 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.883 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -52.11 -30.16 24.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 62.210000000000001 110.893 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -64.38 -37.87 89.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 64.319999999999993 110.821 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -175.99 155.03 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 61.420000000000002 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 70.239999999999995 111.08 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.785 0.244 . . . . 74.430000000000007 112.255 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.58 -53.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 71.25 112.416 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -57.5 168.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 72.209999999999994 110.841 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.7 mmt -66.28 -51.96 52.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.129999999999995 110.869 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 79' ' ' ARG . 21.7 t -80.47 136.18 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 72.329999999999998 111.092 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.46 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 32.8 t -89.64 102.36 15.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 70.200000000000003 110.864 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -51.81 -39.15 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 63.299999999999997 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.04 -51.12 68.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 65.319999999999993 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.787 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.61 -32.57 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.113 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -39.85 62.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 110.897 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.11 -31.66 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 53.200000000000003 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.64 -44.98 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.969 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.8 m -65.57 -41.5 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 71.299999999999997 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -72.42 -37.81 68.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.868 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -67.83 -35.76 79.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 72.540000000000006 110.913 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -74.84 -48.14 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.825 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.7 HG22 HD22 ' A' ' 51' ' ' LEU . 77.2 t -57.43 -52.34 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.817 ' HA ' HD23 ' A' ' 23' ' ' LEU . 56.0 mt -47.93 -48.99 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 62.420000000000002 111.142 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.7 -23.13 73.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 43.030000000000001 112.551 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.712 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.2 t -65.42 -49.34 69.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 65.109999999999999 110.885 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.34 2.3 31.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.937 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 51.87 91.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.540000000000006 110.891 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -95.19 156.13 16.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -98.62 -169.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.888 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -47.24 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.867 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.69 -45.03 94.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.3 mp0 -57.4 -38.65 74.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -72.41 -23.46 61.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -88.08 -26.61 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.871 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -102.42 23.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 63.020000000000003 111.104 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.75 153.2 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 64.140000000000001 110.898 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -157.0 154.77 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 54.109999999999999 110.877 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.705 -0.759 . . . . 55.299999999999997 112.518 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -97.71 38.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 73.140000000000001 111.091 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -124.75 106.58 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 52.310000000000002 111.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -53.72 105.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.140000000000001 110.844 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 74' ' ' VAL . 18.4 mt -66.55 -13.41 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.299999999999997 110.964 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.8 -49.11 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 111.082 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -84.96 -50.48 7.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 74.400000000000006 110.874 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.28 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.8 m-85 -78.84 -2.47 39.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.907 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 53.77 38.91 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.926 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 21' ' ' LEU . 50.1 mt -51.95 146.7 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 61.350000000000001 110.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.78 155.41 21.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 75.239999999999995 110.904 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.718 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.9 t -54.18 -26.54 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.319999999999993 110.889 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 mt -73.1 -49.08 30.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 75.230000000000004 110.927 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.33 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.340000000000003 110.86 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.34 -42.44 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 45' ' ' SER . 95.3 t -57.7 -54.13 35.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 75.109999999999999 111.151 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.38 -28.38 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 110.879 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.7 HD22 HG22 ' A' ' 17' ' ' VAL . 10.2 mt -66.06 -58.57 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.926 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 pt -61.7 -38.38 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 111.096 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 mtp -68.28 -41.6 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.859 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -61.22 -53.68 53.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.843 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.9 mt -65.23 -36.91 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 75.25 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.1 -51.57 69.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 62.439999999999998 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.47 -31.28 66.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 70.420000000000002 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.36 -58.01 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.530000000000001 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 86.6 m-85 -94.91 10.21 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.510000000000005 110.863 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 t 51.68 29.68 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.7 tp -75.83 155.97 34.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.868 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.63 94.56 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 65.299999999999997 110.943 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -101.76 138.77 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 50.350000000000001 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -178.55 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.96 -48.39 63.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 74.129999999999995 110.813 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.91 -39.76 94.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.902 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.92 -50.37 70.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.039999999999999 110.866 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.1 -22.74 64.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 111.122 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.03 -21.97 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.109999999999999 110.912 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 -18.56 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.937 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 77' ' ' ILE . 89.5 mt -85.62 89.65 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.15 -36.02 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 73.519999999999996 110.79 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 p -94.64 150.96 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.439999999999998 111.225 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.843 HG22 HD11 ' A' ' 37' ' ' LEU . 34.6 t -54.7 -50.84 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 71.099999999999994 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -52.62 -47.01 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 70.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.73 -48.9 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.91 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.724 ' HA ' HD22 ' A' ' 71' ' ' LEU . 30.4 mt -58.23 -55.71 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 62.009999999999998 111.117 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.2 t -56.41 -42.0 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -61.22 -41.71 97.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.0 110.829 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.3 t80 -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.924 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.494 HG22 HD13 ' A' ' 9' ' ' ILE . 83.8 mt -72.41 -36.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.450000000000003 111.105 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.1 -45.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 111.039 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 t -54.48 -27.16 35.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 54.130000000000003 110.816 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.7 mmtt -81.44 -52.69 6.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 70.239999999999995 110.876 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -52.83 -30.28 32.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 62.210000000000001 110.854 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.9 m -79.43 -58.07 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 64.319999999999993 110.862 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -133.74 120.26 20.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 61.420000000000002 110.871 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 70.239999999999995 111.09 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.107 0 CA-C-O 120.753 0.23 . . . . 74.430000000000007 112.284 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.29 -150.41 20.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 71.25 112.5 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -81.85 148.99 28.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 72.209999999999994 110.822 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -52.36 -30.66 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.85 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.55 147.68 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 111.096 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 9.0 t -79.03 91.5 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 70.200000000000003 110.879 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -51.96 -30.09 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 63.299999999999997 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.41 -52.37 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.319999999999993 110.82 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.8 mt -72.59 -32.6 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -40.75 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.64 -31.33 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 53.200000000000003 111.073 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -75.22 -46.67 32.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 75.200000000000003 110.899 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 19.5 m -63.83 -43.48 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 71.299999999999997 111.121 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.84 -37.71 76.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 73.120000000000005 110.849 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.68 -35.51 78.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.540000000000006 110.923 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -74.78 -40.84 60.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 73.299999999999997 110.828 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 13' ' ' VAL . 73.7 t -63.47 -52.73 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.5 111.13 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.81 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.9 mt -48.47 -52.71 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 62.420000000000002 111.146 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.16 -23.2 76.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 43.030000000000001 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.06 -50.71 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.388 . . . . 65.109999999999999 110.887 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.884 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.45 5.32 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 53.409999999999997 110.886 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 51.61 90.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.540000000000006 110.92 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.87 162.04 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.340000000000003 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -113.97 -179.01 3.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.918 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.04 -49.45 66.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 64.319999999999993 110.871 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.37 -55.02 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 64.530000000000001 110.864 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.9 mm100 -57.44 -43.76 84.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -67.62 -23.76 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.129999999999995 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.78 -29.27 22.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.953 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -101.26 22.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 63.020000000000003 111.178 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.73 153.57 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 64.140000000000001 110.864 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -158.04 158.71 35.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 54.109999999999999 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.51 -34.59 90.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 55.299999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -96.65 39.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 73.140000000000001 111.126 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.5 m -125.36 107.95 11.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 52.310000000000002 111.145 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -54.2 105.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.974 HD11 HG22 ' A' ' 74' ' ' VAL . 9.0 mt -67.36 -12.63 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.299999999999997 110.907 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.68 -46.27 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 111.095 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -51.53 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.9 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -50.65 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.340000000000003 110.901 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -78.76 -2.88 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.9 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 51.92 46.43 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 74.5 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.884 HD21 HD13 ' A' ' 21' ' ' LEU . 31.3 mt -58.23 155.0 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 61.350000000000001 110.946 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 156.91 16.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 75.239999999999995 110.864 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 t -54.62 -26.69 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.852 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.84 -48.73 35.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.922 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -49.3 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.340000000000003 110.846 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -51.9 -48.34 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.219999999999999 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 45' ' ' SER . 98.1 t -54.22 -52.21 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 111.074 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.67 -30.34 70.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.914 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -68.26 -58.08 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.319999999999993 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.7 pt -59.14 -38.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 111.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.75 -40.86 79.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.855 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -61.46 -53.37 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.120000000000005 110.864 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.17 -38.29 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.861 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -57.3 -51.89 67.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.439999999999998 110.849 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.62 -30.44 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 70.420000000000002 110.912 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.47 -58.54 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 74.530000000000001 110.836 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.5 m-85 -94.66 10.83 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.510000000000005 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 51.82 29.69 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.822 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.2 tp -75.73 155.44 35.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.948 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -103.96 94.67 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.87 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.29 142.59 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 50.350000000000001 111.068 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.38 -172.39 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 62.420000000000002 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -78.56 -41.81 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.129999999999995 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.98 -31.1 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.310000000000002 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.86 -45.64 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 63.039999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.29 -23.14 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.146 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -19.39 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 70.109999999999999 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -111.33 9.82 21.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.84 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD11 ' CG ' ' A' ' 80' ' ' TYR . 71.2 mt -122.35 90.84 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 61.299999999999997 110.899 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -117.6 -30.72 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.519999999999996 110.89 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 72.439999999999998 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.974 HG22 HD11 ' A' ' 37' ' ' LEU . 29.6 t -58.66 -54.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 71.099999999999994 111.167 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.84 -48.92 66.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 70.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.89 -50.36 72.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -59.64 -55.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 62.009999999999998 111.113 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 11.7 t -54.85 -40.4 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 72.239999999999995 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.41 -46.28 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 71' ' ' LEU . 37.3 t80 -62.36 -39.29 92.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.971 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 9' ' ' ILE . 71.8 mt -73.2 -35.96 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.450000000000003 111.125 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -71.01 -46.78 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.115 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -54.54 -27.04 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 54.130000000000003 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG3' HD11 ' A' ' 61' ' ' LEU . 46.0 mmtt -77.69 -45.86 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.239999999999995 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -53.66 -53.73 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 62.210000000000001 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -52.36 -51.46 58.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 64.319999999999993 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -79.39 64.66 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 61.420000000000002 110.873 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 111.104 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.11 0 CA-C-O 120.754 0.231 . . . . 74.430000000000007 112.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.4 132.95 3.09 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 71.25 112.466 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -155.38 112.26 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 72.209999999999994 110.864 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.5 mmt -90.49 -25.71 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 72.129999999999995 110.946 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.01 -177.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 111.141 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.492 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 22.2 t -61.66 95.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.846 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -52.35 -32.31 37.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 63.299999999999997 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.78 -50.94 71.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 65.319999999999993 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.812 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.7 mt -72.7 -32.15 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 111.138 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -51.23 -40.64 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 110.871 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 53.200000000000003 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -75.19 -46.36 34.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.898 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.7 m -64.52 -43.15 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.097 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.08 -37.43 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 73.120000000000005 110.884 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.94 -36.02 79.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 72.540000000000006 110.894 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -74.98 -40.39 60.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.299999999999997 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 37' ' ' LEU . 63.2 t -63.64 -52.24 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.5 111.111 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.833 ' HA ' HD23 ' A' ' 23' ' ' LEU . 33.8 mt -48.61 -52.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 62.420000000000002 111.178 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.12 76.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.754 . . . . 43.030000000000001 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.9 -51.15 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.109999999999999 110.903 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.32 5.34 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 53.409999999999997 110.911 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt 50.41 89.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.897 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -92.66 149.45 21.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 71.340000000000003 110.847 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -92.99 177.02 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.897 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -33.71 66.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.319999999999993 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.1 -54.03 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 64.530000000000001 110.871 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.3 mm100 -56.58 -33.43 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.929 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -73.57 -23.63 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.877 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -88.22 -32.85 18.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.887 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -95.46 22.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 63.020000000000003 111.14 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -94.43 154.45 17.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 64.140000000000001 110.955 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.54 153.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 54.109999999999999 110.909 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.65 89.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.676 -0.773 . . . . 55.299999999999997 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -94.19 38.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 73.140000000000001 111.134 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -125.7 106.16 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 52.310000000000002 111.202 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -53.39 105.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 74' ' ' VAL . 17.1 mt -67.45 -12.34 60.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 73.299999999999997 110.949 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.83 -46.4 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.519999999999996 111.128 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -84.95 -52.06 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.400000000000006 110.913 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.36 -63.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 63.340000000000003 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -78.79 -2.89 41.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.129999999999995 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 51.95 44.97 29.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.912 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 21' ' ' LEU . 31.8 mt -56.97 146.67 26.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.907 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -85.53 155.02 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.91 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.693 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.3 m -54.05 -27.17 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 65.319999999999993 110.858 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.63 -43.08 66.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -48.58 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.858 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -51.83 -50.57 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.85 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 45' ' ' SER . 97.9 t -52.03 -51.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 111.139 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -31.09 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.87 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.9 mt -68.59 -58.09 4.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 110.948 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.13 -38.91 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.061 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.56 -41.46 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.239999999999995 110.924 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.906 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.9 mt -65.82 -37.98 87.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.942 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.23 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 62.439999999999998 110.888 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.86 -32.5 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.855 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.78 -57.38 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.855 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.812 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 87.1 m-85 -95.47 11.1 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 m 51.77 29.08 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.931 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.504 HD21 ' CE1' ' A' ' 80' ' ' TYR . 61.5 tp -76.47 156.29 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.09 94.49 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.872 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.75 132.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 50.350000000000001 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.58 158.94 19.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 62.420000000000002 110.834 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.75 -33.35 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.129999999999995 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.0 -34.58 61.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 75.310000000000002 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -70.47 -39.71 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.039999999999999 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -22.95 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 75.140000000000001 111.105 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.38 -19.76 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 70.109999999999999 110.94 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.71 13.0 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -120.0 111.15 17.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.402 . . . . 61.299999999999997 110.985 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.6 -48.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.519999999999996 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.5 p -82.34 155.12 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.439999999999998 111.085 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.891 HG22 HD11 ' A' ' 37' ' ' LEU . 40.7 t -57.45 -48.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 71.099999999999994 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -54.69 -53.68 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -56.22 -50.44 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.519999999999996 110.817 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 mt -55.48 -55.6 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 62.009999999999998 111.154 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.85 -32.4 69.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 110.839 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -68.43 -39.12 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CE1' HD21 ' A' ' 61' ' ' LEU . 35.7 t80 -71.87 -39.33 69.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 110.938 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 9' ' ' ILE . 61.9 mt -74.52 -40.22 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 75.450000000000003 111.145 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -66.0 -46.01 79.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.139 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -54.58 -26.74 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 54.130000000000003 110.792 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -86.55 -57.01 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.911 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.428 ' HB2' HD11 ' A' ' 9' ' ' ILE . 2.3 m -93.23 43.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 62.210000000000001 110.855 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -73.49 -45.14 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 64.319999999999993 110.829 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.69 155.86 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 61.420000000000002 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 70.239999999999995 111.136 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.822 0.259 . . . . 74.430000000000007 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.19 75.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.748 -0.739 . . . . 71.25 112.444 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -146.85 142.96 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.209999999999994 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.7 mtt -54.27 -29.78 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.129999999999995 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.93 146.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 111.101 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.505 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 23.2 t -119.29 107.67 13.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 70.200000000000003 110.837 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.92 -39.31 58.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 63.299999999999997 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -50.36 72.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 65.319999999999993 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.808 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.1 mt -72.64 -32.4 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 72.450000000000003 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -50.96 -41.1 58.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.030000000000001 110.873 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.44 -31.46 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 53.200000000000003 111.172 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.11 -47.08 30.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.3 m -63.62 -43.38 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 71.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.9 -37.6 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 110.851 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.65 -35.53 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 72.540000000000006 110.895 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -74.92 -40.93 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 73.299999999999997 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.679 ' HA ' HD21 ' A' ' 51' ' ' LEU . 76.2 t -63.42 -52.32 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.5 111.119 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 34.0 mt -48.59 -53.03 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 62.420000000000002 111.155 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 -23.17 76.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.417 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.418 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -63.15 -51.02 68.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.874 0.369 . . . . 65.109999999999999 110.859 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.33 6.1 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 53.409999999999997 110.937 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.01 90.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.971 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -95.47 164.27 12.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.99 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -111.09 -176.08 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.899 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.15 -38.88 88.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 64.319999999999993 110.874 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.13 -49.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 64.530000000000001 110.86 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.767 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.2 mp0 -58.85 -41.3 86.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 74.329999999999998 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -70.12 -23.06 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 110.821 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.96 -29.23 20.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 72.439999999999998 110.898 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -99.56 23.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.020000000000003 111.12 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -98.25 158.39 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.892 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.548 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.4 t -159.26 158.96 33.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.861 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.15 -24.07 71.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 55.299999999999997 112.506 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 p -106.49 39.04 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 73.140000000000001 111.129 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -124.51 115.83 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 52.310000000000002 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.15 105.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 71.140000000000001 110.936 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.961 HD11 HG22 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -67.69 -12.96 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.299999999999997 110.917 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.91 -45.0 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.519999999999996 111.078 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -84.36 -51.68 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.400000000000006 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -51.36 -62.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.843 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 37' ' ' LEU . 25.6 m-85 -78.85 -3.03 42.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.958 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m120 52.89 38.74 27.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.5 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 21' ' ' LEU . 47.8 mt -51.53 148.34 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 61.350000000000001 110.899 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.82 157.13 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 75.239999999999995 110.88 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 t -55.16 -25.88 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.319999999999993 110.835 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.03 -48.88 32.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 110.876 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -49.68 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.72 -47.66 63.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.885 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 45' ' ' SER . 93.1 t -52.74 -52.55 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -31.34 71.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 71.129999999999995 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 17' ' ' VAL . 2.0 mt -66.81 -58.3 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 110.908 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 pt -59.27 -38.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 111.15 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.6 mtp -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.851 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.72 -53.46 57.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.120000000000005 110.888 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 13' ' ' VAL . 11.5 mt -65.39 -37.68 87.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.18 -52.07 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 62.439999999999998 110.878 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.7 -31.03 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 70.420000000000002 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.43 -57.47 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.530000000000001 110.877 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 83.0 m-85 -96.07 11.51 33.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.905 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 51.34 30.35 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.6 tp -76.6 155.57 33.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 74.25 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.25 94.7 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.892 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 mt -104.02 139.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 50.350000000000001 111.114 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.11 179.64 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.86 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.76 -36.56 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.129999999999995 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.3 -42.21 59.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.783 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.2 -32.45 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 63.039999999999999 110.873 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.1 62.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 75.140000000000001 111.105 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.19 -18.75 63.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.862 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.99 8.82 24.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.937 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.82 HD22 ' HA ' ' A' ' 77' ' ' ILE . 80.5 mt -117.11 88.21 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 61.299999999999997 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.42 -37.49 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 110.962 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -95.84 158.4 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 111.132 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.961 HG22 HD11 ' A' ' 37' ' ' LEU . 86.2 t -58.28 -55.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.099999999999994 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.69 -42.05 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 70.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -49.65 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 73.519999999999996 110.802 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.82 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.4 mt -59.25 -55.71 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 111.148 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.71 -34.93 71.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.239999999999995 110.907 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -40.42 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CB ' HD21 ' A' ' 71' ' ' LEU . 36.2 t80 -69.18 -39.65 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.939 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.45 HG22 HD13 ' A' ' 9' ' ' ILE . 82.1 mt -73.36 -48.33 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 75.450000000000003 111.116 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -60.32 -45.24 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.319999999999993 111.095 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -54.67 -26.81 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 54.130000000000003 110.854 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 61' ' ' LEU . 35.4 mmtt -79.68 -37.38 35.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.239999999999995 110.896 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.0 t -60.96 -73.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.210000000000001 110.765 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 t -56.64 -74.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.813 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 102.98 4.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 61.420000000000002 110.837 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.239999999999995 111.116 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.258 . . . . 74.430000000000007 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.8 63.97 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.784 -0.722 . . . . 71.25 112.524 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -122.76 175.03 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 72.209999999999994 110.844 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.1 mmm -58.39 -30.55 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.83 149.98 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 111.159 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -86.31 99.42 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.200000000000003 110.86 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -57.02 -38.6 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 63.299999999999997 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.34 -51.18 67.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.319999999999993 110.835 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.796 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.54 -32.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.450000000000003 111.156 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -40.67 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.913 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -31.37 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 53.200000000000003 111.086 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -75.3 -46.49 33.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.200000000000003 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.0 m -64.32 -42.83 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 111.197 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.56 74.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 110.87 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -68.32 -34.97 77.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.540000000000006 110.862 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -74.97 -42.59 57.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.299999999999997 110.925 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.688 ' HA ' HD21 ' A' ' 51' ' ' LEU . 71.0 t -62.99 -51.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.148 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.826 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.6 mt -49.45 -53.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 111.092 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.95 -23.2 76.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 43.030000000000001 112.537 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -50.26 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 65.109999999999999 110.864 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.52 5.52 31.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 53.409999999999997 110.957 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 50.91 89.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -94.05 164.79 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.340000000000003 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -111.15 -176.62 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.319999999999993 110.928 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.42 -40.32 90.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 64.319999999999993 110.903 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.62 -48.55 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 64.530000000000001 110.857 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.794 ' HB3' HD12 ' A' ' 23' ' ' LEU . 5.1 mm100 -58.65 -34.05 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.91 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -74.56 -22.88 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.129999999999995 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -89.0 -30.28 18.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.0 pp -96.55 24.15 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.117 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -101.43 155.08 18.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 64.140000000000001 110.925 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -160.42 159.49 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 54.109999999999999 110.831 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.75 93.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 55.299999999999997 112.514 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.2 p -94.65 38.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 111.133 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -123.55 129.35 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 52.310000000000002 111.182 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.23 104.69 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -69.9 -15.28 63.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.299999999999997 110.889 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.06 -42.3 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 111.096 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -84.76 -52.29 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.903 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.46 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 63.340000000000003 110.872 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 37' ' ' LEU . 25.0 m-85 -78.88 -3.03 42.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.829 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 51.99 46.91 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.905 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 21' ' ' LEU . 67.5 mt -57.69 150.6 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 61.350000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.07 155.55 19.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 110.879 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 p -53.83 -27.52 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.99 -48.83 33.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 75.230000000000004 110.936 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -49.92 73.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 110.927 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -52.14 -47.77 65.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 45' ' ' SER . 96.5 t -53.31 -52.31 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 75.109999999999999 111.119 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.78 -31.41 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 17' ' ' VAL . 1.6 mt -66.66 -58.23 5.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.921 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.4 pt -59.1 -38.01 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 111.144 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 mtp -69.1 -39.2 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.897 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 t -62.81 -53.37 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 110.892 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.6 mt -65.62 -37.8 87.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HB2' HD12 ' A' ' 63' ' ' ILE . 34.2 tt0 -58.2 -51.96 67.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 62.439999999999998 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.52 -30.7 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.420000000000002 110.884 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.68 -56.88 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.796 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 84.5 m-85 -96.38 10.8 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t 51.09 30.71 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 110.903 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD21 ' CE1' ' A' ' 80' ' ' TYR . 66.6 tp -76.35 155.19 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.888 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.84 94.66 5.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.928 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 56' ' ' GLU . 61.3 mt -99.59 143.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 50.350000000000001 111.103 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -112.49 -170.68 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.420000000000002 110.862 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -78.71 -44.75 22.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 75.310000000000002 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -57.46 -46.05 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 63.039999999999999 110.868 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.99 64.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 75.140000000000001 111.037 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.48 -22.62 44.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 70.109999999999999 110.91 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 13.9 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.885 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 80' ' ' TYR . 60.2 mt -127.77 108.67 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.908 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -137.07 -41.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.519999999999996 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.41 ' HA ' HD22 ' A' ' 37' ' ' LEU . 22.2 p -88.52 157.03 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 72.439999999999998 111.141 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 37' ' ' LEU . 59.6 t -54.8 -40.52 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.099999999999994 111.091 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.04 -55.18 24.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 70.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.02 -50.42 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 110.884 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.27 -55.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 62.009999999999998 111.083 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -54.09 -40.73 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.886 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.18 -50.11 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HB2' HD21 ' A' ' 71' ' ' LEU . 39.4 t80 -58.56 -39.39 80.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.429 HG22 HD13 ' A' ' 9' ' ' ILE . 79.8 mt -73.25 -35.89 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.450000000000003 111.142 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 -46.14 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.319999999999993 111.09 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -54.35 -27.34 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 54.130000000000003 110.874 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HG3' HD11 ' A' ' 61' ' ' LEU . 50.0 mmtt -80.3 -33.06 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.239999999999995 110.877 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -78.93 -171.68 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 62.210000000000001 110.918 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.3 p -100.65 30.49 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 64.319999999999993 110.867 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -55.58 144.69 25.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 61.420000000000002 110.926 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.239999999999995 111.117 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.256 . . . . 74.430000000000007 112.354 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.06 -59.32 10.63 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 71.25 112.454 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -58.3 170.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 72.209999999999994 110.881 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.52 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 110.862 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.5 t -52.01 140.59 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 72.329999999999998 111.168 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.4 t -100.65 106.13 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.200000000000003 110.891 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -52.66 -37.09 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 63.299999999999997 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.36 -50.81 72.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 65.319999999999993 110.946 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.795 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 10.5 mt -72.76 -32.36 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 111.121 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -51.4 -40.37 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.895 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.93 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.200000000000003 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.71 -44.98 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.200000000000003 110.96 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.0 m -65.05 -41.55 92.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 71.299999999999997 111.187 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.61 -38.16 67.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.772 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.94 -35.92 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 72.540000000000006 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -74.98 -48.94 21.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 110.825 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.73 HG22 HD22 ' A' ' 51' ' ' LEU . 78.9 t -56.57 -50.3 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.5 111.179 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' HA ' HD23 ' A' ' 23' ' ' LEU . 47.3 mt -47.97 -51.54 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 62.420000000000002 111.166 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.88 -23.2 75.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 43.030000000000001 112.506 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.71 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.8 t -63.97 -50.79 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 65.109999999999999 110.845 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.953 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -104.75 4.63 32.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 53.409999999999997 110.926 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 49.62 89.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.540000000000006 110.914 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -91.35 167.09 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.879 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -113.42 -174.73 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 110.915 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.48 -38.17 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.319999999999993 110.872 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.43 -46.38 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.530000000000001 110.921 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.776 ' HB3' HD12 ' A' ' 23' ' ' LEU . 4.5 mm100 -61.87 -36.62 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.89 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -74.1 -23.78 59.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.918 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -88.44 -28.9 20.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.439999999999998 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.3 pp -99.4 21.92 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.020000000000003 111.14 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -97.11 151.43 19.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.140000000000001 110.93 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -155.75 159.14 39.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 54.109999999999999 110.917 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.97 -36.16 92.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 55.299999999999997 112.447 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -95.15 38.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 111.149 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -126.98 105.1 8.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -54.62 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.140000000000001 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD11 HG22 ' A' ' 74' ' ' VAL . 20.1 mt -66.21 -15.33 63.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.893 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.0 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.08 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -84.75 -47.95 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 110.862 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.57 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 110.862 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 37' ' ' LEU . 39.1 m-85 -78.64 -3.38 43.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.916 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 55.15 42.65 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 74.5 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.953 HD21 HD13 ' A' ' 21' ' ' LEU . 32.4 mt -54.64 141.08 33.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.350000000000001 110.918 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -78.33 155.87 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.239999999999995 110.866 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 t -55.1 -25.9 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 65.319999999999993 110.88 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.2 mt -73.02 -48.8 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -50.15 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.861 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.62 -41.52 61.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 45' ' ' SER . 83.9 t -57.99 -53.96 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 75.109999999999999 111.201 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.49 -28.25 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.849 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HG22 ' A' ' 17' ' ' VAL . 10.7 mt -66.16 -58.53 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.962 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.9 pt -61.1 -38.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 111.101 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.0 mtp -68.28 -42.72 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.833 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -59.65 -53.64 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 73.120000000000005 110.871 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.3 mt -65.04 -38.02 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.948 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.83 -52.07 65.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 62.439999999999998 110.917 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.94 -31.49 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.420000000000002 110.947 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -57.42 -55.4 35.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 74.530000000000001 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.795 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 88.8 m-85 -99.73 11.52 39.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 110.869 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t 51.56 29.81 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 74.450000000000003 110.87 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD21 ' CE1' ' A' ' 80' ' ' TYR . 64.9 tp -75.44 155.44 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -104.74 94.52 5.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 65.299999999999997 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mt -100.98 139.71 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 50.350000000000001 111.153 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -110.65 -171.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 110.903 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.1 -46.97 26.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.83 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.72 -32.19 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.01 -46.8 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.19 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 111.055 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -20.84 57.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.951 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -111.33 11.12 21.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.450000000000003 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 80' ' ' TYR . 57.4 mt -123.55 94.47 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 61.299999999999997 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 73' ' ' THR . 17.5 pt-20 -121.09 -38.1 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.93 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 72' ' ' GLU . 66.9 p -93.32 153.15 18.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 72.439999999999998 111.081 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.782 HG22 HD11 ' A' ' 37' ' ' LEU . 45.0 t -51.42 -52.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 111.06 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.97 -42.21 68.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 70.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.88 -50.45 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 73.519999999999996 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HA ' HD22 ' A' ' 71' ' ' LEU . 62.0 mt -60.8 -55.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 62.009999999999998 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.88 -39.02 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 72.239999999999995 110.929 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.0 -44.9 91.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . 34.5 t80 -64.11 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.943 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.526 HG22 HD13 ' A' ' 9' ' ' ILE . 80.8 mt -74.71 -38.58 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.450000000000003 111.137 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -64.72 -45.17 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.319999999999993 111.058 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 t -54.79 -26.56 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 54.130000000000003 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' HG3' HD11 ' A' ' 61' ' ' LEU . 24.6 mmtt -86.88 -49.53 7.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.239999999999995 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 p -112.66 61.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 62.210000000000001 110.819 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -70.68 -26.98 63.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.319999999999993 110.855 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -113.13 -36.93 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 61.420000000000002 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.239999999999995 111.179 179.818 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 CA-C-O 120.858 0.274 . . . . 74.430000000000007 112.345 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.38 131.01 7.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 71.25 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -164.76 110.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 72.209999999999994 110.825 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.9 mtt -90.66 -24.99 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 72.129999999999995 110.936 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 m -53.52 173.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 111.106 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 21.2 t -53.73 107.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.200000000000003 110.868 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.3 -33.77 76.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 63.299999999999997 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.52 -50.42 73.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 65.319999999999993 110.985 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 11.5 mt -72.72 -32.29 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 72.450000000000003 111.07 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 110.904 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.68 69.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 53.200000000000003 111.104 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -75.33 -45.59 38.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 75.200000000000003 110.937 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.34 -42.69 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 111.081 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.45 -37.47 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 73.120000000000005 110.864 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -34.93 75.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 72.540000000000006 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 p -75.1 -41.62 58.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.786 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HD13 ' A' ' 37' ' ' LEU . 77.4 t -63.78 -52.55 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.5 111.153 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.84 ' HA ' HD23 ' A' ' 23' ' ' LEU . 44.4 mt -48.25 -52.8 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 111.119 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.33 -23.49 75.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 43.030000000000001 112.504 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -62.8 -50.68 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 65.109999999999999 110.845 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.0 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.34 4.88 31.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 53.409999999999997 110.899 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt 50.46 88.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.895 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -91.7 155.07 18.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 110.886 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -101.43 -176.29 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.817 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.79 -54.34 47.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.530000000000001 110.826 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.654 ' HB3' HD12 ' A' ' 23' ' ' LEU . 6.0 mm100 -55.39 -43.08 74.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 74.329999999999998 110.902 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -70.28 -23.05 62.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 73.129999999999995 110.895 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.58 -28.43 24.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.439999999999998 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -104.01 23.4 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 63.020000000000003 111.169 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 18.4 tp -90.06 159.09 17.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.925 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.77 145.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.817 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.44 -33.14 39.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.683 -0.77 . . . . 55.299999999999997 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -94.22 39.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 111.131 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.4 m -128.53 104.45 7.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 52.310000000000002 111.161 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -53.46 105.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 110.96 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.959 HD13 HG11 ' A' ' 17' ' ' VAL . 18.0 mt -67.1 -11.96 58.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 73.299999999999997 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.97 -46.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 111.051 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.400000000000006 110.926 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.61 -63.17 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 63.340000000000003 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' HE2' HD22 ' A' ' 37' ' ' LEU . 27.5 m-85 -78.23 -3.93 45.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 t30 51.43 44.56 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 74.5 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.0 HD21 HD13 ' A' ' 21' ' ' LEU . 35.0 mt -56.53 151.56 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 61.350000000000001 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.48 155.4 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.946 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 49' ' ' VAL . 33.6 t -54.46 -26.52 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.881 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -72.82 -48.84 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 110.881 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -49.24 77.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 73.340000000000003 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -51.68 -46.75 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 45' ' ' SER . 90.0 t -54.14 -53.27 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.109999999999999 111.124 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.91 -29.64 70.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.893 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 17' ' ' VAL . 3.0 mt -68.21 -58.42 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.319999999999993 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -58.89 -38.4 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.145 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -68.51 -40.79 80.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 110.842 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -61.28 -53.29 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 73.120000000000005 110.814 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 13' ' ' VAL . 12.3 mt -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.57 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 62.439999999999998 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.86 -31.48 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.420000000000002 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -58.35 -57.48 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.530000000000001 110.906 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.2 m-85 -95.72 11.01 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 75.510000000000005 110.856 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.78 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.450000000000003 110.805 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 80' ' ' TYR . 62.4 tp -76.4 155.94 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.949 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -105.24 94.65 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 65.299999999999997 110.882 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -102.54 134.64 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.148 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -112.51 160.95 17.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 110.815 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.57 -37.25 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.84 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.98 -29.29 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 75.310000000000002 110.877 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -68.48 -40.65 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 63.039999999999999 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.93 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.140000000000001 111.167 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -22.52 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.109999999999999 110.906 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.52 13.59 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.450000000000003 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' ' 77' ' ' ILE . 60.1 mt -124.58 96.25 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.46 -37.65 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 73.519999999999996 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 p -93.78 157.43 16.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 111.123 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 37' ' ' LEU . 24.1 t -57.17 -51.73 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 111.096 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.21 -52.13 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 70.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -56.34 -50.35 71.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.859 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 71' ' ' LEU . 19.3 mt -57.22 -55.39 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 62.009999999999998 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.78 -34.63 69.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -66.96 -41.4 86.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.553 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.4 t80 -68.63 -39.68 80.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.907 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 9' ' ' ILE . 63.3 mt -74.45 -35.76 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 75.450000000000003 111.143 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' SER . . . -67.38 -48.28 67.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 111.132 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -26.53 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 54.130000000000003 110.851 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HG3' HD11 ' A' ' 61' ' ' LEU . 43.9 mmtt -81.28 -39.39 25.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 70.239999999999995 110.918 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -173.06 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 62.210000000000001 110.85 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.6 p -119.02 27.14 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 64.319999999999993 110.874 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -111.0 77.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 61.420000000000002 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.239999999999995 111.11 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.772 0.238 . . . . 74.430000000000007 112.335 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.67 77.5 1.32 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 71.25 112.558 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -70.34 94.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 72.209999999999994 110.867 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.29 -29.99 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 72.129999999999995 110.885 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.01 135.96 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 72.329999999999998 111.124 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 7.3 t -63.01 96.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 70.200000000000003 110.898 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.3 -38.37 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 63.299999999999997 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.8 -51.68 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 65.319999999999993 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.757 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 8.2 mt -72.58 -36.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -51.62 -40.46 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -69.83 -31.29 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 53.200000000000003 111.079 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.65 -44.94 39.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.95 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 23.0 m -65.13 -41.71 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 71.299999999999997 111.111 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.448 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.23 -38.47 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.954 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -67.1 -35.74 80.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 110.886 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -74.73 -49.4 21.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.744 HG22 HD22 ' A' ' 51' ' ' LEU . 78.5 t -56.22 -50.63 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.822 ' HA ' HD23 ' A' ' 23' ' ' LEU . 48.7 mt -47.92 -51.18 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.420000000000002 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.38 74.91 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 43.030000000000001 112.484 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.743 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.35 -50.37 70.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 65.109999999999999 110.909 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.931 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.23 4.32 31.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 53.409999999999997 110.94 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp 49.91 88.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.540000000000006 110.903 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.1 mm? -89.8 173.0 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.93 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -121.69 -179.54 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 110.899 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -58.06 -37.3 74.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -71.1 -47.31 58.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.793 ' HB3' HD12 ' A' ' 23' ' ' LEU . 42.5 mm-40 -60.73 -37.97 83.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -73.35 -23.91 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.937 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -87.09 -30.41 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.908 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -98.86 23.31 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.020000000000003 111.129 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -96.42 157.5 15.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 64.140000000000001 110.938 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.479 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -161.37 160.07 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 54.109999999999999 110.879 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.49 -36.43 93.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 55.299999999999997 112.475 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -95.43 39.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 73.140000000000001 111.157 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.2 m -121.6 106.31 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 52.310000000000002 111.194 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -55.86 103.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.87 HD11 HG22 ' A' ' 74' ' ' VAL . 21.2 mt -66.2 -13.42 60.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.909 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.95 -48.77 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 111.108 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -84.85 -50.94 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.02 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 63.340000000000003 110.88 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' HE2' HD22 ' A' ' 37' ' ' LEU . 30.0 m-85 -78.79 -2.8 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.869 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 54.15 38.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.902 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.931 HD21 HD13 ' A' ' 21' ' ' LEU . 55.6 mt -51.44 144.65 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 61.350000000000001 110.943 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -83.42 155.97 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.239999999999995 110.861 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.1 t -54.48 -26.38 30.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 65.319999999999993 110.907 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.11 -48.77 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 75.230000000000004 110.933 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -48.96 76.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.89 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.99 -42.83 69.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.219999999999999 110.966 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 45' ' ' SER . 80.5 t -57.77 -53.86 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 75.109999999999999 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.22 -28.98 70.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 110.831 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD22 HG22 ' A' ' 17' ' ' VAL . 9.4 mt -66.08 -58.4 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.61 -38.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 111.085 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.99 -41.72 81.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 74.239999999999995 110.887 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -61.58 -53.41 56.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 73.120000000000005 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' CD2' HG12 ' A' ' 13' ' ' VAL . 11.1 mt -64.97 -37.23 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.947 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -58.05 -51.93 67.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 62.439999999999998 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.65 -29.91 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.420000000000002 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.31 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.530000000000001 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.757 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 82.4 m-85 -92.79 11.05 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 110.882 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 t 51.51 29.87 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.901 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 84' ' ' LYS . 59.7 tp -76.52 156.36 32.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.946 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -105.26 94.66 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 110.914 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.86 137.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 50.350000000000001 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.129999999999995 110.853 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.0 -41.25 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 75.310000000000002 110.904 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.81 -50.43 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.126 -0.488 . . . . 63.039999999999999 110.821 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.75 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 111.091 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -21.51 49.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 70.109999999999999 110.924 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -18.05 13.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.86 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 77' ' ' ILE . 58.7 mt -84.82 96.97 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 61.299999999999997 110.934 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' OE2' HG23 ' A' ' 73' ' ' THR . 2.0 pp20? -130.06 10.83 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.89 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.549 HG23 ' OE2' ' A' ' 72' ' ' GLU . 1.4 p -139.88 149.96 44.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 111.179 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 HD11 ' A' ' 37' ' ' LEU . 64.3 t -53.8 -55.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -52.84 -47.38 67.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 70.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.27 -50.36 73.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.4 ' HA ' HD22 ' A' ' 71' ' ' LEU . 11.5 mt -56.03 -55.83 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.009999999999998 111.148 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.4 t -57.23 -41.45 79.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.239999999999995 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -39.91 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' CE1' HD21 ' A' ' 61' ' ' LEU . 36.7 t80 -68.73 -42.12 78.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.98 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.498 ' CG2' HG21 ' A' ' 9' ' ' ILE . 63.1 mt -70.12 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 75.450000000000003 111.107 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 9' ' ' ILE . . . -70.68 -46.31 63.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.09 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.5 t -54.47 -27.04 34.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.814 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.526 ' HG3' HD11 ' A' ' 61' ' ' LEU . 7.9 mmtp -81.27 -50.32 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 110.913 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 p -53.35 -30.11 37.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 62.210000000000001 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m -73.56 -34.52 65.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 64.319999999999993 110.836 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -121.65 80.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 61.420000000000002 110.913 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 70.239999999999995 111.051 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.793 0.247 . . . . 74.430000000000007 112.351 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.02 -96.03 0.56 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 71.25 112.534 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -113.95 68.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 72.209999999999994 110.879 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.1 tpt -53.83 -42.33 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.129999999999995 110.85 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -72.29 135.28 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.329999999999998 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 101.53 13.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 70.200000000000003 110.866 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -52.7 -38.83 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 63.299999999999997 110.833 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.35 -51.4 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.917 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.788 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 9.2 mt -72.68 -32.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 111.187 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.18 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 74.030000000000001 110.946 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' O ' ' HE3' ' A' ' 14' ' ' MET . . . -70.17 -31.28 68.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 53.200000000000003 111.104 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -75.69 -44.71 40.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.5 m -65.38 -41.51 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 111.208 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -72.66 -38.39 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 73.120000000000005 110.938 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.81 -37.09 83.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.918 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -74.9 -47.42 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 73.299999999999997 110.85 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 51' ' ' LEU . 49.1 t -56.63 -51.77 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.5 111.158 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.827 ' HA ' HD23 ' A' ' 23' ' ' LEU . 51.2 mt -49.0 -49.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 62.420000000000002 111.184 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.29 -23.35 74.03 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.030000000000001 112.492 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.739 ' HB3' HD23 ' A' ' 21' ' ' LEU . 2.3 t -64.7 -50.04 68.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 65.109999999999999 110.88 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -105.12 4.29 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 53.409999999999997 110.938 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 49.43 88.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.540000000000006 110.933 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.2 mm? -89.38 149.87 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.340000000000003 110.969 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.02 164.82 15.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 75.319999999999993 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.04 -38.0 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 64.319999999999993 110.929 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -72.12 -36.55 69.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 64.530000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.0 mp0 -65.88 -31.34 72.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.884 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -74.96 -22.59 58.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.854 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -88.61 -31.44 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 pp -95.27 23.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 63.020000000000003 111.143 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -99.68 153.51 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.140000000000001 110.983 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -156.04 151.47 26.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 54.109999999999999 110.826 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.55 85.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 55.299999999999997 112.522 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 p -95.62 38.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 73.140000000000001 111.104 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.9 m -128.55 107.69 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 52.310000000000002 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -53.8 105.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.882 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 74' ' ' VAL . 18.8 mt -66.46 -13.7 61.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.938 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.06 -48.32 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -85.15 -49.4 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 110.854 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.08 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 63.340000000000003 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.5 ' HE2' HD22 ' A' ' 37' ' ' LEU . 33.4 m-85 -78.69 -2.62 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 52.16 60.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.968 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 21' ' ' LEU . 31.9 mt -73.1 152.79 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 61.350000000000001 110.9 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.1 155.69 17.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.239999999999995 110.833 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.689 ' O ' HG23 ' A' ' 49' ' ' VAL . 38.2 t -54.92 -25.58 30.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 65.319999999999993 110.88 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.04 -36.31 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 75.230000000000004 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -46.29 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.894 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.25 -44.22 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.831 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' SER . 84.9 t -57.32 -52.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 111.164 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.36 -29.24 70.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.844 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 17' ' ' VAL . 10.0 mt -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.82 -38.7 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.131 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.2 mtp -68.58 -41.69 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.914 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -60.39 -53.72 54.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.120000000000005 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' CD2' HG12 ' A' ' 13' ' ' VAL . 10.0 mt -65.5 -37.86 88.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.903 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.46 -51.9 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 62.439999999999998 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.62 -31.9 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.919 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -57.63 -56.24 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.788 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 85.6 m-85 -96.73 10.94 37.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.510000000000005 110.859 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 51.86 29.16 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 110.796 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' A' ' 84' ' ' LYS . 61.2 tp -76.13 156.42 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.97 94.58 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.299999999999997 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 132.32 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 50.350000000000001 111.12 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 158.28 20.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 62.420000000000002 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.29 -33.51 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.856 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.908 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -70.6 -39.61 73.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.84 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.3 -22.81 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.182 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -59.23 -20.89 57.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 70.109999999999999 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 13.73 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 110.872 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 80' ' ' TYR . 79.8 mt -122.09 120.51 34.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.885 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.38 -47.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.863 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.8 p -84.14 157.44 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.439999999999998 111.208 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 37' ' ' LEU . 44.5 t -56.65 -51.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 71.099999999999994 111.142 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.23 -42.62 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 70.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -63.69 -50.69 68.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 110.853 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.36 -55.85 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 62.009999999999998 111.173 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.2 t -54.74 -40.64 69.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -61.73 -49.22 77.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 71' ' ' LEU . 37.7 t80 -59.45 -39.73 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.953 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 9' ' ' ILE . 77.8 mt -72.65 -35.64 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.450000000000003 111.144 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.16 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -54.42 -27.46 37.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 54.130000000000003 110.893 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.514 ' HG3' HD11 ' A' ' 61' ' ' LEU . 26.0 mmtm -76.52 -46.75 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.239999999999995 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 t -53.31 -52.61 58.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 62.210000000000001 110.83 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -54.99 -49.28 71.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 64.319999999999993 110.865 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.92 -45.52 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 61.420000000000002 110.85 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 70.239999999999995 111.163 179.923 . . . . . . . . 0 0 . 1 stop_ save_