data_2loh_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 2loh _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 ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.825 0.345 . . . . 74.1 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -50.11 73.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.93 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -52.78 -46.24 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.32 -31.27 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.44 -38.9 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 70.04 111.125 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.39 -38.3 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 75.42 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.03 -30.9 64.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.35 -31.64 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 72.25 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -35.36 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.884 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.78 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 63.24 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.58 -66.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.41 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.28 78.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 54.23 112.439 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 m -125.88 20.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 72.24 110.819 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -116.87 -45.72 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.907 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -51.89 -30.28 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 63.12 110.88 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.487 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.847 0.355 . . . . 75.53 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.97 -49.59 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 73.05 111.128 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.55 -27.3 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.548 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.52 -49.46 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.52 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ptp -69.85 -41.38 74.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.845 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.46 -52.53 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.129 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.74 96.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 70.22 112.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.92 -49.43 75.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 74.34 112.463 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.54 -43.93 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 74.34 111.129 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.33 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.117 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.84 -45.29 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.43 111.11 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.91 -56.76 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 71.45 111.093 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -58.33 -41.93 85.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.107 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.75 -51.61 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.138 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -63.56 -35.97 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.104 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.54 -54.64 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.43 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.81 -39.68 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 72.11 111.127 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 m -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.46 -43.82 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.901 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.76 -40.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -38.48 77.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.54 110.911 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.29 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.931 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.899 0.381 . . . . 72.12 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -49.12 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 74.31 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -51.98 -45.74 64.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -51.94 -32.16 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.934 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.99 -37.38 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.25 111.121 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -52.06 -35.23 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -54.37 -32.47 57.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.11 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -30.66 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -46.0 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.847 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -96.73 -70.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.35 111.157 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.07 73.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 64.33 112.491 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.21 110.84 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 63.54 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.6 ptp -69.95 -41.56 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.882 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.41 -53.04 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.146 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.56 -41.41 97.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 74.33 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -49.53 75.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 71.3 112.468 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.76 -43.94 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 74.05 111.166 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.27 -61.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.12 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -52.33 -45.14 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.76 -57.13 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.53 111.13 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m -58.59 -41.95 86.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.098 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -51.68 -51.62 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.56 -36.09 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.03 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.47 -54.85 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.34 111.139 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.15 -39.79 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 59.7 m -63.84 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.14 -43.69 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.927 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.81 -40.87 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.094 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.883 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.838 0.352 . . . . 74.1 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -29.24 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.918 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -34.93 55.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.968 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.93 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.92 -39.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 70.04 111.133 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.17 -38.23 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -41.39 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.843 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.2 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 72.25 111.146 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -78.22 -32.34 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -39.96 95.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.846 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -93.56 -65.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 74.41 111.093 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 32.73 20.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 54.23 112.461 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -108.43 -28.68 9.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 72.24 110.876 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.96 124.13 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 72.34 110.878 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.1 -41.4 68.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 63.12 110.889 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 73.32 112.548 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.349 . . . . 75.53 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -52.36 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.05 111.121 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.77 58.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 73.22 112.454 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.54 -49.53 25.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 73.52 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp -72.32 -52.53 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.82 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.6 -46.45 95.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.23 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -46.05 90.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.9 84.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 74.34 112.463 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.0 t -70.05 -47.97 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.34 111.071 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.7 -57.44 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.095 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.74 -48.92 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 64.43 111.165 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.6 37.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.45 111.097 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -42.59 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.14 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -52.41 -51.55 32.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.193 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.82 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 72.13 111.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -56.32 -51.68 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.167 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.86 -37.23 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 72.11 111.152 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -41.73 98.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.4 111.189 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -45.5 78.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 74.11 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.69 -36.93 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.31 111.168 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -38.1 78.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 64.54 110.853 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.89 -26.08 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.893 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.867 0.365 . . . . 72.12 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.67 -29.11 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -34.75 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.949 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.54 99.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.95 -39.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.178 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.23 -38.04 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.01 110.874 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -41.07 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 71.42 110.889 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.53 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 71.0 111.062 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -78.49 -32.47 48.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -39.59 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.894 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.9 t -93.1 -65.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.063 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.92 33.49 18.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.721 -0.752 . . . . 64.33 112.484 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 73.21 110.777 -179.706 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 63.54 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp -76.18 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.02 -46.02 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.094 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -46.16 89.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 74.33 112.45 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.61 84.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.487 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.79 -47.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 74.05 111.141 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.47 -57.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.25 111.135 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.62 -49.15 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.164 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.74 -53.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 61.53 111.117 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 20.8 m -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.145 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.33 -51.62 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 72.41 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.75 -44.19 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.03 111.086 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.32 -51.53 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.34 111.107 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.7 mt -60.56 -37.11 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.156 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -63.48 -41.85 98.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.125 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -45.63 77.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.954 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.65 -37.03 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.15 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 75.4 110.885 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.84 0.353 . . . . 74.1 110.869 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.899 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.27 -39.9 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 71.41 110.92 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -53.14 52.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.946 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.93 -37.7 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 70.04 111.165 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -34.18 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.02 -42.71 97.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.83 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 72.25 111.082 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -35.12 60.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 73.03 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.92 -29.95 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 63.24 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -99.46 -56.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.142 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.32 -42.59 2.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 54.23 112.489 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.0 m -106.83 21.09 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 72.24 110.907 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -61.99 -26.43 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 72.34 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.39 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 63.12 110.927 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.32 112.447 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 75.53 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -51.01 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.05 111.069 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.29 -26.12 61.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.464 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.62 -49.21 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 73.52 110.846 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtp -72.35 -52.51 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.78 -50.81 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.9 -47.02 92.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 70.22 112.536 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.68 -42.1 76.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 74.34 112.484 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.23 -41.76 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 74.34 111.152 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.7 -59.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.124 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.6 -48.69 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 64.43 111.055 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.43 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.45 111.149 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -62.02 -42.52 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 71.24 111.138 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.73 -51.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.153 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.5 -47.5 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.13 111.148 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.3 -54.79 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.43 111.078 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.25 -34.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 72.11 111.146 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.69 -41.82 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 64.4 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -50.81 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.934 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.9 -43.66 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.173 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 mmm -64.73 -40.24 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.54 110.974 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.97 -36.2 78.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.875 179.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.341 . . . . 72.12 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.97 -33.04 70.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.31 -40.26 77.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -53.03 56.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.2 110.9 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.86 -37.55 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.114 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -34.6 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.929 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.49 -43.21 94.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.42 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.07 75.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 71.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -34.66 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.22 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -55.49 -30.91 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.924 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.47 -56.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.97 -44.46 2.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 64.33 112.51 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 73.21 110.889 -179.831 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.33 . . . . 63.54 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.5 mtp -75.5 -59.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.71 -49.43 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.11 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -47.5 89.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 74.33 112.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.05 -41.97 70.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.532 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.87 -41.73 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 74.05 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.58 -58.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -51.51 -48.84 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.118 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.29 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.53 111.08 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.3 m -62.14 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.174 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.5 t -51.62 -51.93 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 72.41 111.142 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.29 -48.13 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.03 111.095 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.67 -54.79 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.34 111.192 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.4 -34.68 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.102 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.27 -42.21 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 75.45 111.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.19 -51.05 58.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.21 110.889 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.03 -43.4 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.18 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 30.1 mmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.4 110.869 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 74.1 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -39.17 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.52 -34.46 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.76 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.54 -30.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 70.04 111.127 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.67 -27.82 63.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -72.28 -52.12 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.892 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.18 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.25 111.145 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -27.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.28 -54.0 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.51 -28.52 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.08 45.56 87.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 54.23 112.484 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.03 -56.3 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 72.24 110.873 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -52.09 134.49 32.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.85 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.32 -31.86 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 63.12 110.919 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.455 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mm . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.813 0.34 . . . . 75.53 111.205 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -56.42 -52.13 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.153 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.24 -29.58 45.8 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 73.22 112.408 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.41 -54.33 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 73.52 110.914 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.4 ptp -62.05 -40.24 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.871 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.67 -52.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 72.23 111.172 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.92 92.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -44.93 97.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 74.34 112.444 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.18 -44.17 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 74.34 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.29 -60.78 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.03 -46.07 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 64.43 111.168 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.54 19.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 71.45 111.15 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -59.83 -42.47 93.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.167 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -51.97 -51.22 30.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.24 111.143 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.11 -41.0 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.7 t -58.01 -53.44 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.104 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.97 -38.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.178 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.1 m -62.94 -46.87 85.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.4 111.195 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.34 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.972 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.86 -45.49 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.31 111.127 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -53.86 -44.6 70.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 64.54 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -36.32 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.883 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.12 110.928 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.879 0.371 . . . . 72.12 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.15 80.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.954 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.57 -34.48 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -51.84 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.49 -30.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.25 111.142 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.47 -27.87 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -72.25 -52.24 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 71.42 110.931 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 -38.3 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.55 -27.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.82 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.17 -54.05 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.53 -28.76 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.13 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.76 45.54 85.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 64.33 112.528 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 73.21 110.785 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.845 0.355 . . . . 63.54 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.4 ptp -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.835 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.68 -52.78 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.0 -43.62 93.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 74.33 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.05 97.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 71.3 112.441 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.2 -44.44 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 74.05 111.158 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.15 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.156 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.86 -46.21 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 73.25 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.68 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 61.53 111.107 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 m -59.7 -42.58 93.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.105 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -52.0 -51.3 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.129 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 mm -61.89 -40.86 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.03 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -53.31 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.96 -38.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.089 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -46.72 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.15 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.26 -46.88 88.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.929 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -56.47 -40.99 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.15 111.107 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.5 ttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 75.4 110.833 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.808 0.337 . . . . 74.1 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -36.11 83.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -71.92 -31.76 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -52.8 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 73.03 110.968 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.84 -32.51 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.04 111.07 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.88 -39.93 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.977 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -75.65 -30.44 59.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 75.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.09 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -82.91 -39.19 21.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 73.03 110.879 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.9 -51.5 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 63.24 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.28 -34.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.159 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.08 -35.36 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 54.23 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -22.3 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 72.24 110.924 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.51 105.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 72.34 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -38.14 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.844 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 73.32 112.472 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.803 0.335 . . . . 75.53 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.32 -52.34 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.05 111.122 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.98 41.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.22 112.496 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -54.98 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 73.52 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.4 ptm -61.02 -41.11 95.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.857 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.58 -52.61 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 72.23 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.29 94.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 70.22 112.465 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -46.11 87.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.34 112.501 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.37 -35.26 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 74.34 111.066 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.64 -56.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.0 -48.05 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 64.43 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.4 -58.91 5.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 71.45 111.101 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 p -51.66 -52.83 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.423 . . . . 71.24 111.138 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.3 -51.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.176 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -57.57 -46.93 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.13 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.9 t -51.92 -54.91 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.71 -36.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.166 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -63.96 -41.7 97.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -41.6 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.961 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.12 -53.29 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 72.31 111.16 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -62.62 -35.07 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.865 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.07 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.874 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 72.12 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -36.9 85.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.891 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -72.42 -32.43 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.871 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -52.04 63.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -62.07 -32.72 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.099 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.29 -41.51 84.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 -30.63 38.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.28 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -101.22 -46.8 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.867 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.78 -37.26 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 75.35 111.166 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.68 -40.41 2.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 64.33 112.521 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 73.21 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.8 0.333 . . . . 63.54 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.4 ptm -61.11 -41.48 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.88 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.8 -53.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.5 111.151 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.14 94.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 74.33 112.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.36 85.71 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.12 -35.71 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 74.05 111.16 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.6 t -70.24 -57.04 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.064 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -56.29 -48.03 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.25 111.101 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.23 -58.92 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 61.53 111.095 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -51.56 -52.76 44.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 71.41 111.234 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.39 -51.81 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.41 111.081 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.31 -46.52 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.03 111.114 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.54 -56.98 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 72.34 111.139 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -57.72 -35.98 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -64.09 -41.86 97.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.45 111.089 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -41.46 82.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.912 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 t -57.38 -53.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.15 111.149 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 75.4 110.852 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.812 0.339 . . . . 74.1 110.834 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.15 -28.73 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.43 110.862 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -68.9 -34.82 76.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.41 110.855 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.26 -55.46 31.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.963 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.13 -31.02 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 70.04 111.076 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.71 -30.99 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -74.27 -31.23 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.942 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.6 84.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.71 -28.62 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -46.61 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 63.24 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.45 -25.33 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.074 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.17 55.21 8.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 54.23 112.448 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.3 t -117.27 20.92 13.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 72.24 110.873 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -108.68 -26.71 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.913 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -37.07 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 63.12 110.878 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 73.32 112.518 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.899 0.381 . . . . 75.53 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.22 -39.93 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.05 111.123 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.92 -27.38 73.95 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 73.22 112.439 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.64 -42.67 58.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 73.52 110.901 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.5 ptp -71.14 -40.38 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.52 -51.47 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 72.23 111.055 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.86 -33.65 84.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 70.22 112.477 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.2 -52.13 19.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 74.34 112.507 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.35 -40.61 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 74.34 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.41 -57.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.132 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.9 -47.08 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.43 111.144 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.03 -53.46 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 71.45 111.102 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 m -61.36 -40.04 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.24 111.159 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -53.72 -51.33 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.106 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.44 -44.93 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.124 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.1 -54.67 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.167 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.26 -38.16 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.1 m -63.93 -38.99 93.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.4 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -36.31 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.7 -46.76 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 72.31 111.078 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.91 -35.27 78.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.54 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.31 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.911 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.12 110.923 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 72.12 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.08 -28.7 69.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -69.0 -34.77 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.33 -55.57 30.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.07 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 75.25 111.103 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -68.66 -30.97 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.01 110.928 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.34 -31.4 62.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.4 84.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.69 -28.39 68.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.91 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -46.78 78.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.69 -25.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 75.35 111.066 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.87 54.91 8.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 64.33 112.527 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 73.21 110.831 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.918 0.39 . . . . 63.54 110.982 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.5 ptp -70.6 -40.97 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.89 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.6 -50.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.5 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -33.59 83.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 74.33 112.462 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.69 -52.02 17.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 71.3 112.503 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -40.16 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 74.05 111.075 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.15 -58.08 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 72.25 111.18 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 35.4 mt -52.01 -47.12 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.25 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.21 -53.31 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.147 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -61.29 -40.08 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.17 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -53.9 -51.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.121 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.57 -44.91 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 74.03 111.151 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.11 -54.49 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.2 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.42 -38.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.44 111.113 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -63.85 -39.03 93.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 75.45 111.145 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -36.2 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.954 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.66 -46.75 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.15 111.144 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.907 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.849 0.357 . . . . 74.1 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -30.33 67.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.43 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -37.31 83.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 71.41 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -57.47 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.881 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.17 -27.33 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 70.04 111.113 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.77 -33.68 61.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.64 -47.84 84.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.0 81.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.078 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.65 -26.69 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 73.03 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -54.01 -31.52 51.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 63.24 110.857 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.19 -31.47 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.41 111.105 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.17 43.93 93.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 54.23 112.517 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -119.29 -46.93 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 72.24 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.35 123.11 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -36.12 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.646 -0.788 . . . . 73.32 112.459 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.834 0.35 . . . . 75.53 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.43 -51.01 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 73.05 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.58 -29.37 53.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 73.22 112.498 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.55 -54.18 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 73.52 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.2 ptp -62.78 -42.36 99.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.869 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.83 -52.9 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 72.23 111.171 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.26 56.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 70.22 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.03 -45.57 31.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 74.34 112.494 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.74 -34.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 74.34 111.149 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.05 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.61 -46.71 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 64.43 111.147 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.45 111.079 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -53.33 -52.1 60.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.156 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.63 -51.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.24 111.094 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 mt -57.25 -44.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.107 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.7 t -53.93 -54.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.142 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -58.92 -34.19 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.05 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -67.57 -45.77 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 64.4 111.103 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.22 -45.61 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.39 -39.85 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.31 111.131 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -69.87 -35.1 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 64.54 110.852 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -47.11 74.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.942 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.896 0.379 . . . . 72.12 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 74.31 110.918 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.46 84.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.944 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -57.89 11.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.922 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.67 -27.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.154 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -54.86 -33.34 61.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.47 -48.68 80.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.912 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.87 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.57 -26.46 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.843 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -53.72 -31.97 50.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.72 -33.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.131 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.54 44.37 85.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.493 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 73.21 110.874 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 63.54 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.7 ptp -61.85 -42.81 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.882 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.44 -62.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 73.5 111.157 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.71 -27.62 28.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 74.33 112.503 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.96 22.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 71.3 112.517 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -25.36 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 74.05 111.102 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.54 -60.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.66 -45.93 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.16 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.75 -59.68 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 61.53 111.116 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -51.6 -52.38 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.211 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -50.61 -51.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.41 111.113 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 28.2 mt -59.22 -44.11 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.03 111.114 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.03 -56.48 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.34 111.157 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.75 -34.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.094 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -68.64 -46.5 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.45 111.123 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.99 -44.79 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 74.21 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.39 -38.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.874 179.883 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 74.1 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 -26.32 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.95 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -34.27 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.917 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -37.7 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 73.03 110.938 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -41.88 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 70.04 111.065 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.14 -35.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.81 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -40.23 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.63 71.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.25 111.048 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -26.67 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 73.03 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -76.08 -45.23 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 63.24 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.4 t -68.57 -69.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.44 40.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 54.23 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -112.3 -26.07 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 72.24 110.934 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.14 22.09 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 72.34 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -29.68 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.907 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 73.32 112.493 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.785 0.326 . . . . 75.53 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -52.4 -48.55 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 73.05 111.136 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -26.96 65.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 73.22 112.492 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.46 -48.76 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 73.52 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.26 -52.56 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.04 -52.88 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 72.23 111.107 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.39 93.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 70.22 112.449 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.83 95.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.443 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.3 -35.9 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 74.34 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.1 -55.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.114 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mt -53.52 -50.06 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.43 111.041 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -59.09 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 71.45 111.128 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.74 -51.75 53.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.151 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -50.43 -51.82 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.24 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.43 -52.42 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.13 111.203 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.31 -55.04 9.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 73.43 111.106 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mt -56.15 -35.66 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 72.11 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -70.29 -45.1 66.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.157 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.56 -37.96 88.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -65.34 -52.21 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 72.31 111.097 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.7 ptm -66.98 -35.13 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 64.54 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.54 -43.96 92.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 74.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.861 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.737 0.304 . . . . 72.12 110.792 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.05 -26.17 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.1 77.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.911 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.17 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.875 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.74 -41.89 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.25 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.26 -34.81 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.67 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 71.42 110.897 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -39.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -26.28 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -75.62 -44.53 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.93 -71.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.35 111.12 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.449 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 73.21 110.887 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.791 0.329 . . . . 63.54 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -70.41 -60.11 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.7 t -58.76 -57.73 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -34.08 70.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.686 -0.768 . . . . 74.33 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.29 -48.62 81.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 71.3 112.476 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -26.98 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 74.05 111.113 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.32 -57.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.25 111.168 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -47.93 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 73.25 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.86 -58.84 5.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 61.53 111.061 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 40.3 p -51.29 -51.5 53.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.117 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -50.63 -54.16 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.41 111.117 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.58 -52.3 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 74.03 111.127 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.55 -57.78 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.153 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -53.27 -35.26 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 73.44 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -70.72 -45.23 65.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 75.45 111.167 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.28 -37.91 84.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.62 -52.08 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.917 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 74.1 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.38 -26.44 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.64 -37.48 73.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.89 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -51.35 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 73.03 110.897 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.43 -34.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 70.04 111.083 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.33 -30.25 69.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.896 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -35.06 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -48.15 81.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.095 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.03 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.81 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 63.24 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -75.69 -61.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.23 21.61 40.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 54.23 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -56.22 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.907 0.384 . . . . 72.24 110.825 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.23 111.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 72.34 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.66 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 63.12 110.88 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.762 -0.732 . . . . 73.32 112.521 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.832 0.349 . . . . 75.53 111.184 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.6 mm -52.31 -51.3 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.143 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.05 -26.12 60.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 73.22 112.449 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.52 -49.17 27.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 73.52 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 mtp -72.44 -52.52 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.825 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.6 -47.51 93.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 72.23 111.135 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.86 -47.27 87.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.777 . . . . 70.22 112.453 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.13 -41.72 79.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 74.34 112.486 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.98 -50.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 74.34 111.179 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.4 t -58.57 -57.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.124 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.89 -48.94 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.149 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 71.45 111.104 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.27 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.24 111.107 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.12 -51.59 67.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.116 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.77 -43.46 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 72.13 111.102 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.86 -54.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.129 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.58 -35.86 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 72.11 111.17 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -64.5 -41.22 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.131 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.56 -47.62 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.942 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.99 -43.7 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.112 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -44.06 89.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 64.54 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.32 -28.31 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.912 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.831 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 72.12 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.42 -26.32 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.53 -37.44 73.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.4 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -51.48 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 74.2 110.941 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.55 -34.93 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -30.02 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.01 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -34.98 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.932 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.59 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.97 -34.06 75.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -52.54 -54.52 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.2 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.35 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.37 39.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 73.21 110.838 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.778 0.323 . . . . 63.54 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtp -76.29 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.819 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.48 -47.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.5 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.12 79.0 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.719 -0.753 . . . . 74.33 112.536 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.92 82.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 71.3 112.452 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.03 -50.7 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 74.05 111.098 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.44 -57.29 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.146 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.66 -49.09 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.158 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.39 49.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.108 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.21 -38.21 85.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.154 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.87 -51.55 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.04 -43.53 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.03 111.195 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -56.18 -54.37 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.34 111.149 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.81 -36.1 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.104 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -64.7 -41.7 95.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.223 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.19 -46.81 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.898 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.15 111.101 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.9 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 74.1 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -54.9 -30.08 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -36.8 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.41 110.89 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.05 -34.51 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -73.26 -33.95 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 70.04 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -33.73 71.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -47.55 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.853 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -38.26 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.062 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.61 -33.09 60.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.87 -49.35 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 63.24 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.3 t -82.73 -35.67 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.149 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.69 21.12 75.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 54.23 112.446 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 t -104.52 20.99 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 72.24 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.35 22.08 14.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.862 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -54.2 -35.76 62.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.91 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 73.32 112.526 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 75.53 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.48 -49.71 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.05 111.112 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.17 -23.3 63.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 73.22 112.478 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.4 -54.49 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 73.52 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -40.44 72.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.99 -52.62 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.146 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.81 74.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 70.22 112.506 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.23 -52.25 9.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -57.3 -36.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 74.34 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.54 -54.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.076 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.93 -49.94 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 71.45 111.127 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.47 -51.6 53.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.187 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -50.69 -51.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.057 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.88 -42.9 94.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.37 -55.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.43 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -55.18 -33.32 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 72.11 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -67.79 -53.64 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.4 111.163 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.3 -43.11 82.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 74.11 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.24 -29.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 72.31 111.119 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -68.02 -34.21 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 64.54 110.943 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.16 -33.18 14.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 74.23 110.972 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.888 179.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.886 0.374 . . . . 72.12 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -55.02 -30.01 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.897 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.18 -36.86 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.01 -34.9 58.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.95 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.55 -33.96 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.139 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -33.4 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -47.97 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.42 110.839 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.71 -38.78 67.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.07 -32.68 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.941 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.32 -49.21 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.64 -36.8 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.127 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.65 21.61 76.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.761 -0.733 . . . . 64.33 112.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 73.21 110.833 -179.763 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 63.54 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -39.9 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.879 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.71 -51.64 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.167 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.42 -30.9 72.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 74.33 112.56 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.29 -52.83 7.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 71.3 112.461 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 89.6 t -56.52 -36.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 74.05 111.151 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.1 -56.53 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.103 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.53 -49.28 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.151 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.21 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 61.53 111.086 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -51.3 -51.58 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.147 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -50.78 -54.91 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.187 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.99 -42.13 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 68.0 t -61.36 -59.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.174 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.59 -30.84 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 83.3 m -67.4 -57.21 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.072 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.47 -38.75 92.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -61.57 -37.12 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.15 111.11 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.83 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.837 0.351 . . . . 74.1 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.76 73.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.96 -31.23 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.41 110.841 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.56 -31.82 73.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.03 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.12 -57.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 70.04 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.63 -25.69 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -72.11 -45.26 61.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.855 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -51.49 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.25 111.097 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -29.07 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.924 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.69 -55.04 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.58 -47.87 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.41 111.108 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 19.98 65.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 54.23 112.533 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -120.98 20.94 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.861 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -81.35 -27.34 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -43.28 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 63.12 110.916 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.801 -0.714 . . . . 73.32 112.432 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 75.53 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.31 -52.22 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.05 111.1 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -28.54 50.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 73.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.4 -53.33 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 73.52 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.6 ptm -64.33 -40.49 96.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.905 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -68.45 -52.3 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.129 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.42 -34.98 91.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 70.22 112.463 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.36 80.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 74.34 112.497 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.19 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 74.34 111.079 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.32 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.11 111.118 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.63 -48.03 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 64.43 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.08 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.45 111.097 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.37 -34.45 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 71.24 111.187 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.95 -44.82 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.143 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.8 -32.8 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.13 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.22 -54.98 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.103 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.29 -36.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.2 m -73.9 -37.17 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.55 -40.45 80.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.62 -53.64 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.097 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.3 ptm -59.58 -35.02 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 64.54 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -25.95 61.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 74.23 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.928 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 72.12 110.825 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.7 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.88 -31.04 48.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 74.4 110.868 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.38 -31.84 73.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.02 -57.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.14 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 49.29 28.57 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.825 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -72.46 -45.58 58.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.817 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.56 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -28.74 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.893 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -55.44 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.819 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.96 -48.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.35 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 19.68 68.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 64.33 112.517 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.21 110.894 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 63.54 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 7.6 ptm -64.14 -40.74 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.853 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.15 -52.2 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.163 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.05 91.56 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.742 . . . . 74.33 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.12 82.1 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.687 -0.768 . . . . 71.3 112.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.26 -38.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 74.05 111.127 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.12 -58.75 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.61 -48.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.25 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.57 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 61.53 111.143 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.76 -34.66 73.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.124 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.85 -45.21 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.073 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.11 -32.09 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.162 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.48 -56.31 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.121 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -59.32 -35.58 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.4 m -75.18 -36.5 61.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.45 111.167 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.71 -40.47 79.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.962 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.38 -54.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.143 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ptm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.841 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.354 . . . . 74.1 110.781 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.13 -32.39 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 75.43 110.954 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -67.17 -32.26 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -44.28 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -66.12 -38.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 70.04 111.151 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -25.65 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.41 -31.15 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.41 -31.92 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 72.25 111.164 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -27.46 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.867 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -81.49 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.24 110.841 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -100.38 -69.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.09 44.17 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 54.23 112.467 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -56.22 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 72.24 110.91 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 m120 58.7 179.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.819 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.5 -35.47 77.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 73.32 112.45 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.883 0.373 . . . . 75.53 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.35 -47.45 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.151 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -28.33 66.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.845 -0.693 . . . . 73.22 112.477 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.56 -50.3 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 73.52 110.864 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.8 ptm -67.25 -41.72 85.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.842 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.25 -52.42 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 72.23 111.144 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -32.51 84.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 70.22 112.478 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.87 -46.7 65.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 74.34 112.534 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.49 -40.71 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 74.34 111.165 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.59 -59.3 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.9 mt -51.87 -46.59 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 64.43 111.091 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -57.93 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.146 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 m -55.69 -40.44 72.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.148 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.68 -47.07 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.24 111.192 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.07 -32.72 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.095 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.03 -55.11 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 73.43 111.104 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.2 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.6 m -73.48 -37.07 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 64.4 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.83 -45.76 81.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.885 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.69 -30.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.137 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -38.01 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.864 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -42.86 95.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.925 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.12 110.902 179.813 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.803 0.335 . . . . 72.12 110.843 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.15 -32.95 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.897 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -68.07 -32.3 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.895 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -44.47 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.5 t -65.96 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.152 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 49.44 28.66 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 74.01 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.94 -31.36 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.8 -32.52 60.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -27.74 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.829 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -81.64 -55.16 4.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 t -100.39 -69.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.35 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 44.16 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 64.33 112.523 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 73.21 110.871 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 63.54 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 16.0 ptm -67.01 -41.74 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.891 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.27 -52.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.5 111.166 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -32.56 84.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.546 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.88 63.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.808 -0.711 . . . . 71.3 112.436 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.45 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 74.05 111.136 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.13 -59.5 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.25 111.15 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.47 -47.51 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 73.25 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.39 -58.09 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.13 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -54.96 -41.21 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 71.41 111.137 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.27 -48.33 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.41 111.09 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mm -69.51 -30.96 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.03 111.171 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.84 -57.6 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 72.34 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -35.41 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 73.44 111.134 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.9 m -72.93 -35.87 67.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.17 -45.81 75.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.998 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -73.37 -29.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.177 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.894 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 75.34 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.61 -74.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 74.1 110.862 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -50.11 73.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.93 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -52.78 -46.24 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.32 -31.27 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.44 -38.9 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 70.04 111.125 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.39 -38.3 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 75.42 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.03 -30.9 64.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.35 -31.64 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 72.25 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -35.36 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.884 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.78 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 63.24 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.58 -66.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.41 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.28 78.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 54.23 112.439 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 m -125.88 20.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 72.24 110.819 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -116.87 -45.72 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.907 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -51.89 -30.28 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 63.12 110.88 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.02 88.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.88 -53.52 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 74.55 111.108 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.6 -56.4 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 75.53 111.164 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.97 -49.59 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 73.05 111.128 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.55 -27.3 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.548 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.52 -49.46 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 73.52 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ptp -69.85 -41.38 74.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.845 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.46 -52.53 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.23 111.129 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.74 96.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 70.22 112.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.92 -49.43 75.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 74.34 112.463 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.54 -43.93 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 74.34 111.129 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.33 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.117 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.84 -45.29 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.43 111.11 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.91 -56.76 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 71.45 111.093 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -58.33 -41.93 85.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.107 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.8 t -51.75 -51.61 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.138 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -63.56 -35.97 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.104 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.54 -54.64 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.43 111.098 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.81 -39.68 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 72.11 111.127 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 m -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.46 -43.82 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.901 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.76 -40.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -38.48 77.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.54 110.911 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.29 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -26.44 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.931 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -52.22 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.896 179.834 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 61.21 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.59 -74.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 72.12 110.865 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -49.12 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 74.31 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -51.98 -45.74 64.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -51.94 -32.16 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.934 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.99 -37.38 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.25 111.121 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -52.06 -35.23 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -54.37 -32.47 57.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.11 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -30.66 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -46.0 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.847 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -96.73 -70.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.35 111.157 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.07 73.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 64.33 112.491 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.0 m -123.02 25.85 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.21 110.84 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -113.79 -47.79 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -53.8 -30.37 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.879 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.09 -30.61 78.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 62.34 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.73 -53.41 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.14 111.109 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -60.6 -57.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.12 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.43 -49.33 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.096 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -26.74 63.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 73.3 112.506 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.19 -49.49 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 63.54 110.877 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.6 ptp -69.95 -41.56 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.882 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.41 -53.04 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.146 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.56 -41.41 97.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 74.33 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -49.53 75.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 71.3 112.468 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.76 -43.94 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 74.05 111.166 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.27 -61.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.12 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -52.33 -45.14 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.76 -57.13 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.53 111.13 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m -58.59 -41.95 86.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.098 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 93.1 t -51.68 -51.62 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.56 -36.09 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.03 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.47 -54.85 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.34 111.139 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.15 -39.79 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 59.7 m -63.84 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.14 -43.69 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.927 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.81 -40.87 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.094 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -38.38 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.883 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.921 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -26.55 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 72.51 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -52.16 -65.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.91 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.52 110.899 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.525 -0.23 . . . . 75.34 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -114.97 165.53 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 74.1 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -29.24 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.918 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -34.93 55.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.968 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.93 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.92 -39.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 70.04 111.133 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.17 -38.23 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -41.39 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.843 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.2 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 72.25 111.146 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -78.22 -32.34 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -39.96 95.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.846 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -93.56 -65.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 74.41 111.093 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 32.73 20.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 54.23 112.461 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -108.43 -28.68 9.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 72.24 110.876 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.96 124.13 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 72.34 110.878 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.1 -41.4 68.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 63.12 110.889 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.72 -35.33 52.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 73.32 112.548 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -51.81 42.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.55 111.067 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm -55.73 -58.46 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 75.53 111.131 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -52.36 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.05 111.121 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.77 58.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 73.22 112.454 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.54 -49.53 25.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 73.52 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp -72.32 -52.53 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.82 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.6 -46.45 95.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 72.23 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -46.05 90.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.9 84.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 74.34 112.463 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.0 t -70.05 -47.97 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.34 111.071 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.7 -57.44 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.095 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.74 -48.92 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 64.43 111.165 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.6 37.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.45 111.097 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -42.59 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.14 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.7 t -52.41 -51.55 32.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.193 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.82 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 72.13 111.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -56.32 -51.68 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.167 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.86 -37.23 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 72.11 111.152 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -41.73 98.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.4 111.189 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -45.5 78.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 74.11 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.69 -36.93 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.31 111.168 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -38.1 78.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 64.54 110.853 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.89 -26.08 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -82.95 -40.4 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -26.14 63.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.895 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.927 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.507 -0.237 . . . . 61.21 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -114.99 165.56 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.12 110.857 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.67 -29.11 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -34.75 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.949 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.54 99.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.95 -39.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.178 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.23 -38.04 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.01 110.874 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -41.07 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 71.42 110.889 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.53 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 71.0 111.062 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -78.49 -32.47 48.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -39.59 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.894 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.9 t -93.1 -65.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.063 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.92 33.49 18.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.721 -0.752 . . . . 64.33 112.484 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t -108.09 -27.98 9.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 73.21 110.777 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -60.48 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.858 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.29 -41.27 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.944 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.83 -36.01 54.34 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.655 -0.783 . . . . 62.34 112.48 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.95 34.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 74.14 111.139 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.76 -58.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.163 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.43 -52.72 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.181 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -26.74 60.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 73.3 112.451 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.02 -47.31 52.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.84 0.352 . . . . 63.54 110.932 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp -76.18 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.02 -46.02 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.094 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -46.16 89.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 74.33 112.45 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.61 84.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.487 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.79 -47.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 74.05 111.141 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.47 -57.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.25 111.135 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.62 -49.15 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.164 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.74 -53.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 61.53 111.117 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 20.8 m -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.145 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.33 -51.62 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 72.41 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.75 -44.19 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.03 111.086 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.32 -51.53 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.34 111.107 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.7 mt -60.56 -37.11 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.156 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -63.48 -41.85 98.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.125 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -45.63 77.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.954 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.65 -37.03 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.15 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.14 78.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 75.4 110.885 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.96 -26.02 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.54 110.876 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -82.93 -40.52 20.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.874 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.1 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.965 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 65.52 110.915 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.468 -0.253 . . . . 75.34 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.6 149.34 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 74.1 110.869 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.899 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.27 -39.9 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 71.41 110.92 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -53.14 52.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.946 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.93 -37.7 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 70.04 111.165 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -34.18 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.02 -42.71 97.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.83 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 72.25 111.082 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -35.12 60.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 73.03 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.92 -29.95 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 63.24 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -99.46 -56.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.142 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.32 -42.59 2.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 54.23 112.489 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.0 m -106.83 21.09 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 72.24 110.907 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -61.99 -26.43 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 72.34 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.39 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 63.12 110.927 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.36 -37.21 47.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.32 112.447 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.85 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 74.55 111.076 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm -56.38 -58.4 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 75.53 111.136 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -51.01 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.05 111.069 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.29 -26.12 61.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.464 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.62 -49.21 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 73.52 110.846 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtp -72.35 -52.51 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.78 -50.81 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.9 -47.02 92.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 70.22 112.536 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.68 -42.1 76.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 74.34 112.484 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.0 t -70.23 -41.76 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 74.34 111.152 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.7 -59.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.124 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.6 -48.69 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 64.43 111.055 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.43 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.45 111.149 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -62.02 -42.52 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 71.24 111.138 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.73 -51.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.153 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.5 -47.5 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.13 111.148 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.3 -54.79 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.43 111.078 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.25 -34.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 72.11 111.146 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.69 -41.82 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 64.4 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -50.81 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.934 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.9 -43.66 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.173 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 mmm -64.73 -40.24 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.54 110.974 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.97 -36.2 78.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -83.22 -29.7 28.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.875 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -65.35 -51.77 58.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.13 110.86 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.523 -0.231 . . . . 61.21 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 149.26 39.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 72.12 110.898 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.97 -33.04 70.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.31 -40.26 77.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -53.03 56.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.2 110.9 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.86 -37.55 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.114 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -34.6 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.929 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.49 -43.21 94.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.42 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.07 75.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 71.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -34.66 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.22 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -55.49 -30.91 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.924 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.47 -56.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.97 -44.46 2.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 64.33 112.51 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -108.31 23.17 14.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 73.21 110.889 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -63.41 -27.91 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.893 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -39.19 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.94 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.93 -38.81 55.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 62.34 112.478 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -50.12 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.738 0.304 . . . . 74.14 111.105 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.67 -58.83 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.39 -51.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.11 111.121 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.49 -27.44 63.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.774 . . . . 73.3 112.504 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.76 -47.12 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 63.54 110.961 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.5 mtp -75.5 -59.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.71 -49.43 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.11 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -47.5 89.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 74.33 112.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.05 -41.97 70.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.532 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -69.87 -41.73 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 74.05 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.58 -58.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -51.51 -48.84 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.118 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.29 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.53 111.08 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.3 m -62.14 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.174 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 98.5 t -51.62 -51.93 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 72.41 111.142 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.29 -48.13 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.03 111.095 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.67 -54.79 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.34 111.192 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.4 -34.68 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.102 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.27 -42.21 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 75.45 111.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.19 -51.05 58.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.21 110.889 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.03 -43.4 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.18 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 30.1 mmm -64.77 -40.21 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.4 110.869 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.96 -36.37 79.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 73.54 110.928 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -83.39 -29.71 27.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.51 110.877 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -65.39 -51.85 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.869 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 65.52 110.889 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.515 -0.234 . . . . 75.34 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -151.1 -44.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.823 0.344 . . . . 74.1 110.829 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -39.17 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.52 -34.46 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.76 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.54 -30.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 70.04 111.127 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.67 -27.82 63.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -72.28 -52.12 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.892 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.18 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.25 111.145 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -27.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.28 -54.0 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.51 -28.52 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.08 45.56 87.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 54.23 112.484 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.03 -56.3 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 72.24 110.873 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -52.09 134.49 32.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.85 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.32 -31.86 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 63.12 110.919 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.47 -44.19 58.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.455 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.17 78.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 74.55 111.093 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.27 -58.41 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 75.53 111.205 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -56.42 -52.13 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.153 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.24 -29.58 45.8 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 73.22 112.408 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.41 -54.33 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 73.52 110.914 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.4 ptp -62.05 -40.24 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.871 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.67 -52.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 72.23 111.172 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.92 92.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -44.93 97.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 74.34 112.444 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.18 -44.17 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 74.34 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.29 -60.78 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.03 -46.07 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 64.43 111.168 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.82 -55.54 19.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 71.45 111.15 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -59.83 -42.47 93.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.167 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -51.97 -51.22 30.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.24 111.143 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.11 -41.0 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.7 t -58.01 -53.44 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.104 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.97 -38.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.178 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.1 m -62.94 -46.87 85.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.4 111.195 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.34 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.972 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.86 -45.49 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.31 111.127 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -53.86 -44.6 70.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 64.54 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -36.32 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.883 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -26.95 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.12 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -173.32 135.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.876 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.9 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.518 -0.233 . . . . 61.21 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -151.1 -44.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 72.12 110.881 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.15 80.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.954 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.57 -34.48 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -51.84 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.49 -30.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.25 111.142 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.47 -27.87 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -72.25 -52.24 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 71.42 110.931 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 -38.3 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.55 -27.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.82 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.17 -54.05 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.53 -28.76 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.13 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.76 45.54 85.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 64.33 112.528 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.09 -56.61 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 73.21 110.785 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -52.29 134.2 33.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.852 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.74 -32.07 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.869 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.79 -44.17 60.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 62.34 112.547 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.04 -49.09 78.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.755 0.312 . . . . 74.14 111.097 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.4 -58.35 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 74.12 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -56.99 -52.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 74.11 111.138 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.97 44.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 73.3 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.96 -54.46 7.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 63.54 110.925 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.4 ptp -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.835 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.68 -52.78 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.0 -43.62 93.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 74.33 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.05 97.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 71.3 112.441 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.2 -44.44 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 74.05 111.158 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.15 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.156 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.86 -46.21 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 73.25 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -55.68 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 61.53 111.107 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 m -59.7 -42.58 93.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.105 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -52.0 -51.3 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.129 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 mm -61.89 -40.86 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.03 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -53.31 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.96 -38.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.089 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -46.72 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.15 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.26 -46.88 88.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.929 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -56.47 -40.99 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.15 111.107 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.5 ttp -73.73 -44.09 57.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 75.4 110.833 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -36.13 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 73.54 110.906 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -27.25 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 72.51 110.957 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -173.19 135.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.863 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 65.52 110.937 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.435 0 N-CA-C 112.513 -0.235 . . . . 75.34 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.98 165.07 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 74.1 110.861 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -36.11 83.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -71.92 -31.76 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -52.8 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 73.03 110.968 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.84 -32.51 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.04 111.07 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.88 -39.93 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.977 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -75.65 -30.44 59.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 75.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.09 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -82.91 -39.19 21.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 73.03 110.879 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.9 -51.5 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 63.24 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.28 -34.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.159 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.08 -35.36 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 54.23 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -22.3 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 72.24 110.924 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.51 105.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 72.34 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -38.14 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.844 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.06 87.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 73.32 112.472 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -53.64 28.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 74.55 111.138 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.26 -55.86 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.53 111.111 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.32 -52.34 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.05 111.122 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.98 41.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.22 112.496 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -54.98 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 73.52 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.4 ptm -61.02 -41.11 95.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.857 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.58 -52.61 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 72.23 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.29 94.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 70.22 112.465 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -46.11 87.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.34 112.501 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.37 -35.26 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 74.34 111.066 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.64 -56.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.166 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.0 -48.05 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 64.43 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.4 -58.91 5.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 71.45 111.101 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 p -51.66 -52.83 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.423 . . . . 71.24 111.138 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.3 -51.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.176 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -57.57 -46.93 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.13 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 49.9 t -51.92 -54.91 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.71 -36.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.166 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -63.96 -41.7 97.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -41.6 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.961 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.12 -53.29 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 72.31 111.16 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -62.62 -35.07 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.865 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.07 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -81.85 -30.05 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.05 102.38 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.89 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.89 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.516 -0.234 . . . . 61.21 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.01 165.06 25.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 72.12 110.865 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -36.9 85.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.891 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -72.42 -32.43 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.871 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -52.04 63.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -62.07 -32.72 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.099 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.29 -41.51 84.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 -30.63 38.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.28 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -101.22 -46.8 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.867 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.78 -37.26 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 75.35 111.166 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.68 -40.41 2.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 64.33 112.521 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -22.83 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 73.21 110.85 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m120 63.52 104.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -39.67 13.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.968 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.44 87.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 62.34 112.428 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -54.68 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.752 0.311 . . . . 74.14 111.053 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.86 -57.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.103 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -60.0 -52.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.104 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.91 -29.17 42.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 73.3 112.477 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -54.91 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 63.54 110.911 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.4 ptm -61.11 -41.48 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.88 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.8 -53.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.5 111.151 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.14 94.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 74.33 112.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.36 85.71 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.12 -35.71 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 74.05 111.16 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.6 t -70.24 -57.04 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.064 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.6 mm -56.29 -48.03 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.25 111.101 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.23 -58.92 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 61.53 111.095 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -51.56 -52.76 44.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 71.41 111.234 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.39 -51.81 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.41 111.081 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.31 -46.52 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.03 111.114 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.54 -56.98 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 72.34 111.139 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -57.72 -35.98 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -64.09 -41.86 97.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.45 111.089 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -41.46 82.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.912 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 t -57.38 -53.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.15 111.149 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -63.08 -34.03 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 75.4 110.852 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -39.17 91.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 73.54 110.861 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -81.73 -29.73 32.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 72.51 110.888 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 102.38 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.855 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 65.52 110.9 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.431 -0.268 . . . . 75.34 112.431 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -100.91 81.72 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 74.1 110.834 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.15 -28.73 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.43 110.862 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -68.9 -34.82 76.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.41 110.855 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.26 -55.46 31.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.963 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.13 -31.02 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 70.04 111.076 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.71 -30.99 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -74.27 -31.23 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.942 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.6 84.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.71 -28.62 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -46.61 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 63.24 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.45 -25.33 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.074 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.17 55.21 8.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 54.23 112.448 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.3 t -117.27 20.92 13.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 72.24 110.873 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -108.68 -26.71 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.913 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -37.07 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 63.12 110.878 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.27 -41.12 61.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 73.32 112.518 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.18 54.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 74.55 111.162 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt -55.04 -58.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.22 -39.93 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.05 111.123 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.92 -27.38 73.95 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 73.22 112.439 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.64 -42.67 58.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 73.52 110.901 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.5 ptp -71.14 -40.38 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.2 t -71.52 -51.47 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 72.23 111.055 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.86 -33.65 84.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 70.22 112.477 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.2 -52.13 19.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 74.34 112.507 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.35 -40.61 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 74.34 111.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.41 -57.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.132 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.9 -47.08 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.43 111.144 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.03 -53.46 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 71.45 111.102 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 m -61.36 -40.04 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.24 111.159 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -53.72 -51.33 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.106 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.44 -44.93 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.124 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.6 t -54.1 -54.67 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.167 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.26 -38.16 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.1 m -63.93 -38.99 93.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.4 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -36.31 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.7 -46.76 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 72.31 111.078 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.91 -35.27 78.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.54 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.31 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.911 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -28.66 38.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.12 110.923 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -81.88 89.81 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.95 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tttp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.911 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 N-CA-C 112.471 -0.251 . . . . 61.21 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -100.74 81.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 72.12 110.869 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.08 -28.7 69.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -69.0 -34.77 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.33 -55.57 30.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.07 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 75.25 111.103 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -68.66 -30.97 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.01 110.928 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.34 -31.4 62.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.4 84.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.69 -28.39 68.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.91 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -46.78 78.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.69 -25.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 75.35 111.066 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.87 54.91 8.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 64.33 112.527 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t -117.88 23.91 11.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 73.21 110.831 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -109.21 -26.75 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.895 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.27 63.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.906 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.72 -41.57 66.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 62.34 112.482 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -53.16 52.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 74.14 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt -55.36 -58.69 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 74.12 111.15 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mm -55.36 -40.03 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.11 111.105 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.62 -22.77 75.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.3 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -43.09 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 63.54 110.982 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 21.5 ptp -70.6 -40.97 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.89 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.6 -50.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.5 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -33.59 83.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 74.33 112.462 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.69 -52.02 17.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 71.3 112.503 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -40.16 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 74.05 111.075 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.15 -58.08 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 72.25 111.18 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 35.4 mt -52.01 -47.12 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.25 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.21 -53.31 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.147 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -61.29 -40.08 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.17 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -53.9 -51.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.121 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.57 -44.91 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 74.03 111.151 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.11 -54.49 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.2 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.42 -38.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.44 111.113 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -63.85 -39.03 93.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 75.45 111.145 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -36.2 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.954 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.66 -46.75 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.15 111.144 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.907 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -43.27 95.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.18 -28.59 38.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.854 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -81.94 89.71 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 75.33 110.981 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 65.52 110.87 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.492 -0.243 . . . . 75.34 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -135.92 82.5 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 74.1 110.852 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -30.33 67.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.43 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -37.31 83.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 71.41 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -57.47 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.881 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.17 -27.33 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 70.04 111.113 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.77 -33.68 61.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.64 -47.84 84.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.0 81.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.078 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.65 -26.69 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 73.03 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -54.01 -31.52 51.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 63.24 110.857 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.19 -31.47 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.41 111.105 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.17 43.93 93.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 54.23 112.517 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -119.29 -46.93 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 72.24 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.35 123.11 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -36.12 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.6 -39.19 53.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.646 -0.788 . . . . 73.32 112.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -52.33 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 74.55 111.133 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.1 -58.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 75.53 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.43 -51.01 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 73.05 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.58 -29.37 53.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 73.22 112.498 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.55 -54.18 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 73.52 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.2 ptp -62.78 -42.36 99.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.869 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.83 -52.9 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 72.23 111.171 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.26 56.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 70.22 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.03 -45.57 31.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 74.34 112.494 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.74 -34.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 74.34 111.149 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.05 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.61 -46.71 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 64.43 111.147 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.45 111.079 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -53.33 -52.1 60.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.156 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.6 t -50.63 -51.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.24 111.094 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 mt -57.25 -44.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.107 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.7 t -53.93 -54.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.142 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -58.92 -34.19 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.05 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -67.57 -45.77 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 64.4 111.103 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.22 -45.61 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.39 -39.85 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.31 111.131 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -69.87 -35.1 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 64.54 110.852 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -47.11 74.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -23.96 47.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.942 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -51.99 -58.28 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.13 110.889 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.869 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 61.21 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -135.87 82.56 1.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 72.12 110.872 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 74.31 110.918 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.46 84.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.944 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -57.89 11.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.922 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.67 -27.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.154 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -54.86 -33.34 61.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.47 -48.68 80.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.912 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.87 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.57 -26.46 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.843 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -53.72 -31.97 50.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.72 -33.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.131 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.54 44.37 85.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.493 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -118.71 -47.12 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 73.21 110.874 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.07 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -36.62 19.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.949 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.81 -41.41 58.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 62.34 112.467 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.3 -53.5 23.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 74.14 111.082 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.5 mm -56.52 -58.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.12 111.072 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.01 -51.12 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 74.11 111.138 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.14 -27.89 47.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 73.3 112.461 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.62 -54.96 6.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 63.54 110.895 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.7 ptp -61.85 -42.81 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.882 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.44 -62.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 73.5 111.157 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.71 -27.62 28.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 74.33 112.503 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.96 22.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 71.3 112.517 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -25.36 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 74.05 111.102 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.54 -60.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.66 -45.93 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.16 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.75 -59.68 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 61.53 111.116 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -51.6 -52.38 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.211 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 99.3 t -50.61 -51.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.41 111.113 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 28.2 mt -59.22 -44.11 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.03 111.114 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.03 -56.48 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.34 111.157 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.75 -34.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.094 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -68.64 -46.5 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.45 111.123 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.99 -44.79 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 74.21 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.39 -38.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.07 -33.78 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.874 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -47.28 73.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.859 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -24.51 44.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 72.51 110.906 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -51.98 -58.1 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.927 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 65.52 110.869 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.463 -0.255 . . . . 75.34 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -81.46 -50.01 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.1 110.832 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 -26.32 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.95 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -34.27 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.917 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -37.7 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 73.03 110.938 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -41.88 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 70.04 111.065 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.14 -35.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.81 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -40.23 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.63 71.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 72.25 111.048 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -26.67 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 73.03 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -76.08 -45.23 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 63.24 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.4 t -68.57 -69.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.44 40.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 54.23 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -112.3 -26.07 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 72.24 110.934 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.14 22.09 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 72.34 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -29.68 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.907 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.28 -45.01 58.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 73.32 112.493 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.94 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 74.55 111.106 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.83 -58.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.53 111.075 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -52.4 -48.55 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 73.05 111.136 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -26.96 65.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 73.22 112.492 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.46 -48.76 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 73.52 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.26 -52.56 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.04 -52.88 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 72.23 111.107 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.39 93.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 70.22 112.449 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.83 95.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.443 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.3 -35.9 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 74.34 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.1 -55.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.114 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mt -53.52 -50.06 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.43 111.041 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -59.09 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 71.45 111.128 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.74 -51.75 53.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.151 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -50.43 -51.82 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.24 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.43 -52.42 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.13 111.203 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.31 -55.04 9.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 73.43 111.106 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mt -56.15 -35.66 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 72.11 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -70.29 -45.1 66.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.157 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.56 -37.96 88.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -65.34 -52.21 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 72.31 111.097 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.7 ptm -66.98 -35.13 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 64.54 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.54 -43.96 92.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 74.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -26.08 41.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.861 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.78 149.19 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.947 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.901 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 61.21 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -81.64 -49.93 9.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 72.12 110.792 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.05 -26.17 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.1 77.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.911 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.17 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.875 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.74 -41.89 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.25 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.26 -34.81 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.67 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 71.42 110.897 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -39.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -26.28 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -75.62 -44.53 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.93 -71.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.35 111.12 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.449 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -111.5 -26.57 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 73.21 110.887 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.7 21.86 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.801 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -31.29 56.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.919 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.59 60.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 62.34 112.526 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.67 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 74.14 111.023 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.77 -59.15 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.12 111.168 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.15 -48.51 31.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.083 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.51 69.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 73.3 112.484 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.96 -47.45 58.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 63.54 110.871 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -70.41 -60.11 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.7 t -58.76 -57.73 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -34.08 70.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.686 -0.768 . . . . 74.33 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.29 -48.62 81.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 71.3 112.476 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -26.98 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 74.05 111.113 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.32 -57.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.25 111.168 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -47.93 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 73.25 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.86 -58.84 5.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 61.53 111.061 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 40.3 p -51.29 -51.5 53.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.117 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -50.63 -54.16 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.41 111.117 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.58 -52.3 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 74.03 111.127 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.55 -57.78 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.153 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -53.27 -35.26 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 73.44 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -70.72 -45.23 65.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 75.45 111.167 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.28 -37.91 84.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.62 -52.08 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.108 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.95 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.917 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.94 -44.1 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.867 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -26.19 40.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 72.51 110.921 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 149.21 22.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.926 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 65.52 110.9 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 75.34 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -108.37 -49.41 3.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 74.1 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.38 -26.44 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.64 -37.48 73.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.89 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -51.35 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 73.03 110.897 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.43 -34.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 70.04 111.083 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.33 -30.25 69.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.896 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -35.06 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -48.15 81.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.095 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.03 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.81 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 63.24 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -75.69 -61.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.23 21.61 40.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 54.23 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -56.22 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.907 0.384 . . . . 72.24 110.825 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.23 111.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 72.34 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.66 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 63.12 110.88 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.57 -35.23 51.19 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.762 -0.732 . . . . 73.32 112.521 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.35 -51.68 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 74.55 111.092 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -56.75 -58.4 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.53 111.184 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.6 mm -52.31 -51.3 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.143 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.05 -26.12 60.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 73.22 112.449 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.52 -49.17 27.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 73.52 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 mtp -72.44 -52.52 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.825 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.6 -47.51 93.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 72.23 111.135 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.86 -47.27 87.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.777 . . . . 70.22 112.453 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.13 -41.72 79.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 74.34 112.486 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.98 -50.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 74.34 111.179 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.4 t -58.57 -57.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.124 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.89 -48.94 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.149 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 71.45 111.104 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.27 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.24 111.107 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.12 -51.59 67.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.116 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.77 -43.46 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 72.13 111.102 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.86 -54.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.129 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.58 -35.86 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 72.11 111.17 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -64.5 -41.22 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.131 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.56 -47.62 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.11 110.942 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.99 -43.7 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.112 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -44.06 89.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 64.54 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.32 -28.31 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.912 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -35.99 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.831 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.21 146.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 75.13 110.939 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.881 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 61.21 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -108.26 -49.42 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 72.12 110.896 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.42 -26.32 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.53 -37.44 73.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.4 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -51.48 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 74.2 110.941 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.55 -34.93 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -30.02 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.01 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -34.98 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.932 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.59 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.97 -34.06 75.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -52.54 -54.52 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.2 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 75.35 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.37 39.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.12 -56.15 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 73.21 110.838 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.38 110.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.13 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -36.94 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.77 -36.07 54.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 62.34 112.488 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.31 -52.45 22.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 74.14 111.096 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.68 -58.36 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.12 111.128 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -51.38 -51.78 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.138 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.32 -27.07 62.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.759 -0.734 . . . . 73.3 112.435 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.97 -46.81 56.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 63.54 110.935 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtp -76.29 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.819 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.48 -47.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.5 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.12 79.0 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.719 -0.753 . . . . 74.33 112.536 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.92 82.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 71.3 112.452 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.03 -50.7 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 74.05 111.098 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.44 -57.29 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.146 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.66 -49.09 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.158 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.82 -52.39 49.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.108 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.21 -38.21 85.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.154 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.87 -51.55 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.04 -43.53 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.03 111.195 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -56.18 -54.37 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.34 111.149 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.81 -36.1 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.104 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -64.7 -41.7 95.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.223 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.19 -46.81 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.898 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.15 111.101 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -44.07 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.9 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.89 -28.24 67.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 73.54 110.956 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -36.27 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.51 110.908 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.99 146.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.932 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.34 -0.391 . . . . 65.52 110.863 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.511 -0.236 . . . . 75.34 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 52.21 72.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 74.1 110.836 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -54.9 -30.08 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -36.8 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.41 110.89 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.05 -34.51 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -73.26 -33.95 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 70.04 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -33.73 71.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -47.55 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.853 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -38.26 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.062 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.61 -33.09 60.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.87 -49.35 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 63.24 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.3 t -82.73 -35.67 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.149 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.69 21.12 75.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 54.23 112.446 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 t -104.52 20.99 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 72.24 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.35 22.08 14.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.862 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -54.2 -35.76 62.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.91 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.2 -42.89 63.37 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 73.32 112.526 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.19 -46.18 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 74.55 111.115 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.9 mm -55.4 -56.5 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.53 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.48 -49.71 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.05 111.112 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.17 -23.3 63.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 73.22 112.478 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.4 -54.49 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 73.52 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -40.44 72.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.99 -52.62 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.146 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.81 74.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 70.22 112.506 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.23 -52.25 9.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -57.3 -36.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 74.34 111.11 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.54 -54.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.076 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.93 -49.94 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.27 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 71.45 111.127 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.47 -51.6 53.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.187 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.7 t -50.69 -51.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.057 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.88 -42.9 94.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.37 -55.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 73.43 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -55.18 -33.32 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 72.11 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -67.79 -53.64 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.4 111.163 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.3 -43.11 82.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 74.11 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.24 -29.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 72.31 111.119 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -68.02 -34.21 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 64.54 110.943 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.16 -33.18 14.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 74.23 110.972 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -83.0 -9.11 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.888 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.59 -169.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 75.13 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 pttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.894 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.431 -0.268 . . . . 61.21 112.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 52.17 72.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 72.12 110.849 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -55.02 -30.01 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.897 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.18 -36.86 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.01 -34.9 58.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.95 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.55 -33.96 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.139 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -33.4 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -47.97 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.42 110.839 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.71 -38.78 67.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.07 -32.68 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.941 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.32 -49.21 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.64 -36.8 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.127 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.65 21.61 76.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.761 -0.733 . . . . 64.33 112.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.4 t -104.06 24.04 12.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 73.21 110.833 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.71 21.71 14.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.881 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.836 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.87 -43.07 60.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.557 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.67 53.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 74.14 111.138 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.61 -57.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.118 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.04 -47.99 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.11 111.143 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -20.45 61.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.661 -0.781 . . . . 73.3 112.467 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -80.27 -53.88 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 63.54 110.965 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -39.9 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.879 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.9 t -73.71 -51.64 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.167 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.42 -30.9 72.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 74.33 112.56 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.29 -52.83 7.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 71.3 112.461 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 89.6 t -56.52 -36.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 74.05 111.151 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.1 -56.53 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.103 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.53 -49.28 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.151 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.21 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 61.53 111.086 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -51.3 -51.58 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.147 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -50.78 -54.91 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.187 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.99 -42.13 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 68.0 t -61.36 -59.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.174 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.59 -30.84 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 83.3 m -67.4 -57.21 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.072 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.47 -38.75 92.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -61.57 -37.12 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.15 111.11 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mmm -83.62 -75.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.83 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.82 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 73.54 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -117.15 -20.0 9.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 72.51 110.926 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -169.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.893 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 pttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 65.52 110.902 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.529 -0.229 . . . . 75.34 112.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -93.13 154.88 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 74.1 110.855 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.76 73.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.96 -31.23 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.41 110.841 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.56 -31.82 73.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.03 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.12 -57.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 70.04 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.63 -25.69 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -72.11 -45.26 61.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.855 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -51.49 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.25 111.097 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -29.07 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.924 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.69 -55.04 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.58 -47.87 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.41 111.108 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 19.98 65.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 54.23 112.533 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -120.98 20.94 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.861 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -81.35 -27.34 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -43.28 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 63.12 110.916 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.01 -35.19 90.36 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.801 -0.714 . . . . 73.32 112.432 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.74 -51.2 43.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 74.55 111.095 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.14 -58.47 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.53 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.31 -52.22 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.05 111.1 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -28.54 50.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 73.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.4 -53.33 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 73.52 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.6 ptm -64.33 -40.49 96.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.905 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -68.45 -52.3 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.129 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.42 -34.98 91.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 70.22 112.463 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.36 80.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 74.34 112.497 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.19 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 74.34 111.079 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.32 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.11 111.118 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.63 -48.03 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 64.43 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.08 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.45 111.097 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.37 -34.45 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 71.24 111.187 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.95 -44.82 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.143 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.8 -32.8 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.13 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.22 -54.98 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.103 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.29 -36.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.2 m -73.9 -37.17 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.55 -40.45 80.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.62 -53.64 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.097 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.3 ptm -59.58 -35.02 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 64.54 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -25.95 61.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 74.23 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -96.84 -44.29 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.928 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -103.4 68.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.936 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.23 110.844 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 61.21 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -93.27 154.8 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 72.12 110.825 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.7 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.88 -31.04 48.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 74.4 110.868 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.38 -31.84 73.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.02 -57.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.14 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 49.29 28.57 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.825 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -72.46 -45.58 58.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.817 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.56 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -28.74 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.893 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -55.44 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.819 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.96 -48.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.35 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 19.68 68.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 64.33 112.517 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -121.18 24.06 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.21 110.894 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -81.73 -27.9 33.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.938 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -43.4 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.16 -35.09 90.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.501 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.87 -52.05 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.14 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.84 -58.67 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.212 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.6 mm -55.48 -52.26 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.176 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.18 48.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.654 -0.784 . . . . 73.3 112.548 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.86 -53.46 10.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 63.54 110.955 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 7.6 ptm -64.14 -40.74 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.853 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.15 -52.2 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.163 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.05 91.56 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.742 . . . . 74.33 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.12 82.1 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.687 -0.768 . . . . 71.3 112.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.26 -38.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 74.05 111.127 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.12 -58.75 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.61 -48.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.25 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.57 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 61.53 111.143 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.76 -34.66 73.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.124 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.85 -45.21 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.073 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.11 -32.09 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.162 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.48 -56.31 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.121 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -59.32 -35.58 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.4 m -75.18 -36.5 61.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.45 111.167 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.71 -40.47 79.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.962 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.38 -54.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.143 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ptm -59.42 -33.88 71.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.841 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -26.33 62.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -96.8 -44.26 7.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.51 110.879 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -103.45 69.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 75.33 110.902 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.929 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.459 -0.256 . . . . 75.34 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.31 170.88 10.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 74.1 110.781 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.13 -32.39 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 75.43 110.954 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -67.17 -32.26 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -44.28 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -66.12 -38.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 70.04 111.151 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -25.65 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.41 -31.15 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.41 -31.92 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 72.25 111.164 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -27.46 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.867 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -81.49 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.24 110.841 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -100.38 -69.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.09 44.17 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 54.23 112.467 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -56.22 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 72.24 110.91 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 m120 58.7 179.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.819 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.5 -35.47 77.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.06 -34.31 52.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 73.32 112.45 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.35 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 74.55 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.89 -54.08 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.53 111.153 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.35 -47.45 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.151 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -28.33 66.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.845 -0.693 . . . . 73.22 112.477 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.56 -50.3 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 73.52 110.864 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.8 ptm -67.25 -41.72 85.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.842 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.25 -52.42 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 72.23 111.144 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -32.51 84.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 70.22 112.478 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.87 -46.7 65.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 74.34 112.534 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.49 -40.71 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 74.34 111.165 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.59 -59.3 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.132 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.9 mt -51.87 -46.59 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 64.43 111.091 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -57.93 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.146 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 m -55.69 -40.44 72.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.148 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.68 -47.07 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.24 111.192 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.07 -32.72 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.095 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.03 -55.11 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 73.43 111.104 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.2 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.6 m -73.48 -37.07 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 64.4 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.83 -45.76 81.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.885 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.69 -30.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.137 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -38.01 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.864 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -42.86 95.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.925 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -79.51 -25.47 41.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.12 110.902 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 tttt 59.68 84.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.907 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.856 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 61.21 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.26 170.67 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 72.12 110.843 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.15 -32.95 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.897 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -68.07 -32.3 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.895 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -44.47 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.88 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.5 t -65.96 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.152 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 49.44 28.66 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 74.01 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.94 -31.36 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.8 -32.52 60.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -27.74 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.829 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -81.64 -55.16 4.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 t -100.39 -69.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.35 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 44.16 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 64.33 112.523 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.95 -56.04 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 73.21 110.871 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 m120 58.83 179.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 74.13 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.7 -35.19 77.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.917 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.63 -34.41 49.95 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 62.34 112.516 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.49 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 111.143 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -54.97 -53.74 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.121 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -54.82 -47.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.188 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.24 -27.92 66.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 73.3 112.468 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.6 -50.24 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 63.54 110.919 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 16.0 ptm -67.01 -41.74 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.891 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.27 -52.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.5 111.166 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -32.56 84.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.546 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.88 63.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.808 -0.711 . . . . 71.3 112.436 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.45 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 74.05 111.136 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.13 -59.5 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.25 111.15 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.47 -47.51 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 73.25 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.39 -58.09 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.13 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -54.96 -41.21 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 71.41 111.137 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.27 -48.33 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.41 111.09 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mm -69.51 -30.96 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.03 111.171 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.84 -57.6 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 72.34 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -35.41 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 73.44 111.134 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.9 m -72.93 -35.87 67.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.17 -45.81 75.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.998 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -73.37 -29.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.177 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.57 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.894 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -42.69 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.941 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -79.59 -25.32 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.51 110.915 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 59.56 84.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.907 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.52 110.92 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.825 0.345 . . . . 74.099999999999994 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -50.11 73.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.430000000000007 110.93 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -52.78 -46.24 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.32 -31.27 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 65.400000000000006 110.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.44 -38.9 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 52.439999999999998 111.125 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.39 -38.3 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 75.420000000000002 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.03 -30.9 64.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.129999999999995 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.35 -31.64 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 62.329999999999998 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -35.36 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.884 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.78 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 63.240000000000002 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.58 -66.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.28 78.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 53.009999999999998 112.439 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 m -125.88 20.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 72.239999999999995 110.819 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -116.87 -45.72 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.907 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -51.89 -30.28 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 110.88 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.487 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.637 HG23 ' CE ' ' B' ' 23' ' ' MET . 47.1 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.847 0.355 . . . . 61.229999999999997 111.164 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 24' ' ' VAL . 43.6 mm -57.97 -49.59 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 73.049999999999997 111.128 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.55 -27.3 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 64.430000000000007 112.548 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.52 -49.46 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 70.299999999999997 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.3 ptp -69.85 -41.38 74.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.845 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 28' ' ' VAL . 97.1 t -68.46 -52.53 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 111.129 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.74 96.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 70.219999999999999 112.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.92 -49.43 75.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 74.340000000000003 112.463 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 93.7 t -62.54 -43.93 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 74.340000000000003 111.129 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.6 t -64.33 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 111.117 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.84 -45.29 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 63.039999999999999 111.11 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.91 -56.76 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 61.530000000000001 111.093 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -58.33 -41.93 85.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 65.530000000000001 111.107 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.8 t -51.75 -51.61 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.138 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 33' ' ' ILE . 45.3 mm -63.56 -35.97 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.129999999999995 111.104 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 30' ' ' ALA . 45.5 t -63.54 -54.64 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 111.098 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.81 -39.68 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 71.329999999999998 111.127 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 m -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.46 -43.82 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 64.299999999999997 110.901 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.8 t -60.76 -40.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 111.114 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -38.48 77.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 110.911 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.29 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 71.230000000000004 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 110.931 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.899 0.381 . . . . 72.120000000000005 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -49.12 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 74.310000000000002 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -51.98 -45.74 64.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 53.020000000000003 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -51.94 -32.16 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 61.219999999999999 110.934 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.99 -37.38 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.25 111.121 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -52.06 -35.23 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -54.37 -32.47 57.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.420000000000002 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.11 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 63.119999999999997 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -30.66 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -46.0 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.847 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.524 HG12 ' H ' ' B' ' 14' ' ' SER . 42.7 t -96.73 -70.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 65.109999999999999 111.157 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.07 73.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 64.329999999999998 112.491 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.524 ' H ' HG12 ' B' ' 12' ' ' VAL . 44.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.209999999999994 110.84 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 63.539999999999999 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.637 ' CE ' HG23 ' A' ' 19' ' ' ILE . 19.6 ptp -69.95 -41.56 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.882 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.597 ' O ' HG23 ' B' ' 28' ' ' VAL . 98.1 t -68.41 -53.04 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.56 -41.41 97.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.240000000000002 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -49.53 75.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 71.299999999999997 112.468 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 23' ' ' MET . 92.8 t -62.76 -43.94 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 64.420000000000002 111.166 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 87.4 t -64.27 -61.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.12 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -52.33 -45.14 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.76 -57.13 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.530000000000001 111.13 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m -58.59 -41.95 86.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 111.098 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 93.1 t -51.68 -51.62 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' ILE . 45.8 mm -63.56 -36.09 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 111.142 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 45.8 t -63.47 -54.85 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 111.139 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.15 -39.79 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 62.109999999999999 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 59.7 m -63.84 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.450000000000003 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.14 -43.69 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 110.927 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 34' ' ' VAL . 97.3 t -60.81 -40.87 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.150000000000006 111.094 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 110.883 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.838 0.352 . . . . 74.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -29.24 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 75.430000000000007 110.918 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -34.93 55.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.968 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.400000000000006 110.93 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.92 -39.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 52.439999999999998 111.133 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.17 -38.23 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -41.39 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.129999999999995 110.843 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.2 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.329999999999998 111.146 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -78.22 -32.34 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.030000000000001 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -39.96 95.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 110.846 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -93.56 -65.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 111.093 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 32.73 20.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 53.009999999999998 112.461 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -108.43 -28.68 9.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 72.239999999999995 110.876 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.96 124.13 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 110.878 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.1 -41.4 68.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 61.119999999999997 110.889 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 73.319999999999993 112.548 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.349 . . . . 61.229999999999997 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -52.36 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.049999999999997 111.121 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.77 58.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 64.430000000000007 112.454 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.54 -49.53 25.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 70.299999999999997 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.1 mtp -72.32 -52.53 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.82 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 28' ' ' VAL . 60.0 t -60.6 -46.45 95.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 71.340000000000003 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -46.05 90.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 70.219999999999999 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.9 84.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 74.340000000000003 112.463 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' MET . 93.0 t -70.05 -47.97 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.340000000000003 111.071 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.2 t -60.7 -57.44 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 111.095 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.74 -48.92 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 63.039999999999999 111.165 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.71 -53.6 37.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.530000000000001 111.097 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -42.59 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 65.530000000000001 111.14 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.7 t -52.41 -51.55 32.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 111.193 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' B' ' 33' ' ' ILE . 40.7 mm -60.82 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 72.129999999999995 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ALA . 39.3 t -56.32 -51.68 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.329999999999998 111.167 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.86 -37.23 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 71.329999999999998 111.152 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -41.73 98.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 111.189 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -66.7 -45.5 78.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 64.299999999999997 110.921 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.69 -36.93 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 111.168 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -38.1 78.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 64.420000000000002 110.853 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.89 -26.08 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 71.230000000000004 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 37' ' ' LEU . 3.1 mmmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.120000000000005 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.867 0.365 . . . . 72.120000000000005 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.67 -29.11 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -34.75 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 53.020000000000003 110.949 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.54 99.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 61.219999999999999 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.95 -39.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.178 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.23 -38.04 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 63.219999999999999 110.874 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -41.07 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 71.420000000000002 110.889 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.53 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 63.119999999999997 111.062 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -78.49 -32.47 48.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 70.420000000000002 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -39.59 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.894 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.9 t -93.1 -65.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 65.109999999999999 111.063 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.92 33.49 18.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.721 -0.752 . . . . 64.329999999999998 112.484 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 73.209999999999994 110.777 -179.706 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 63.539999999999999 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.459 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.9 mtp -76.18 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.906 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.651 ' O ' HG23 ' B' ' 28' ' ' VAL . 59.8 t -59.02 -46.02 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.094 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -46.16 89.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 52.240000000000002 112.45 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.61 84.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.807 -0.711 . . . . 71.299999999999997 112.487 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 23' ' ' MET . 89.8 t -69.79 -47.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 64.420000000000002 111.141 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.9 t -60.47 -57.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.25 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.62 -49.15 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 111.164 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.74 -53.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 61.530000000000001 111.117 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 20.8 m -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 111.145 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.9 t -52.33 -51.62 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 72.409999999999997 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -60.75 -44.19 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.010000000000005 111.086 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 39.8 t -56.32 -51.53 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.7 mt -60.56 -37.11 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 62.109999999999999 111.156 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -63.48 -41.85 98.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 75.450000000000003 111.125 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.78 -45.63 77.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.954 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.65 -37.03 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.150000000000006 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 110.885 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.84 0.353 . . . . 74.099999999999994 110.869 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.430000000000007 110.899 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.27 -39.9 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 71.409999999999997 110.92 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -53.14 52.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 65.400000000000006 110.946 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.93 -37.7 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 52.439999999999998 111.165 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -34.18 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.420000000000002 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.02 -42.71 97.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.83 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 62.329999999999998 111.082 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -35.12 60.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 73.030000000000001 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.92 -29.95 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 63.240000000000002 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -99.46 -56.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 111.142 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.32 -42.59 2.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 53.009999999999998 112.489 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.0 m -106.83 21.09 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 72.239999999999995 110.907 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -61.99 -26.43 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 71.430000000000007 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.39 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 61.119999999999997 110.927 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.319999999999993 112.447 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 61.229999999999997 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -51.01 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.049999999999997 111.069 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.29 -26.12 61.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 64.430000000000007 112.464 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.62 -49.21 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 70.299999999999997 110.846 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.0 mtp -72.35 -52.51 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.8 t -61.78 -50.81 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 111.143 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.9 -47.02 92.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 70.219999999999999 112.536 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.68 -42.1 76.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 74.340000000000003 112.484 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' MET . 97.0 t -70.23 -41.76 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 74.340000000000003 111.152 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.7 t -64.7 -59.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.124 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.6 -48.69 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 63.039999999999999 111.055 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.67 -52.43 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 61.530000000000001 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -62.02 -42.52 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 65.530000000000001 111.138 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.0 t -51.73 -51.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.153 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' B' ' 33' ' ' ILE . 40.8 mm -61.5 -47.5 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 30' ' ' ALA . 47.7 t -52.3 -54.79 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.078 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.25 -34.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 71.329999999999998 111.146 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.69 -41.82 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 64.400000000000006 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -66.91 -50.81 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 64.299999999999997 110.934 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -57.9 -43.66 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 111.173 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 mmm -64.73 -40.24 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.420000000000002 110.974 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 40' ' ' LEU . 10.9 tp -60.97 -36.2 78.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 71.230000000000004 110.885 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.875 179.814 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.341 . . . . 72.120000000000005 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.97 -33.04 70.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.310000000000002 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.31 -40.26 77.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 53.020000000000003 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -53.03 56.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 61.219999999999999 110.9 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.86 -37.55 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.114 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -34.6 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 63.219999999999999 110.929 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.49 -43.21 94.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.420000000000002 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.07 75.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 63.119999999999997 111.085 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -34.66 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.420000000000002 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -55.49 -30.91 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.924 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.47 -56.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.109999999999999 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.97 -44.46 2.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 64.329999999999998 112.51 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 73.209999999999994 110.889 -179.831 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.33 . . . . 63.539999999999999 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.51 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.5 mtp -75.5 -59.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.686 ' O ' HG23 ' B' ' 28' ' ' VAL . 58.0 t -59.71 -49.43 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.11 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -47.5 89.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 52.240000000000002 112.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.05 -41.97 70.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 71.299999999999997 112.532 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 23' ' ' MET . 93.2 t -69.87 -41.73 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 64.420000000000002 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.3 t -64.58 -58.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.151 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -51.51 -48.84 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 72.209999999999994 111.118 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.733 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.65 -52.29 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.530000000000001 111.08 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.3 m -62.14 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 111.174 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 28' ' ' VAL . 98.5 t -51.62 -51.93 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 72.409999999999997 111.142 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -61.29 -48.13 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.010000000000005 111.095 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 30' ' ' ALA . 47.6 t -52.67 -54.79 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.219999999999999 111.192 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.4 -34.68 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 62.109999999999999 111.102 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.27 -42.21 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 75.450000000000003 111.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.19 -51.05 58.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.889 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 34' ' ' VAL . 21.8 t -58.03 -43.4 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.150000000000006 111.18 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 30.1 mmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 110.869 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 74.099999999999994 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -39.17 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.430000000000007 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.52 -34.46 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.409999999999997 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.76 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.54 -30.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 52.439999999999998 111.127 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.67 -27.82 63.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.516 ' O ' HG12 ' A' ' 12' ' ' VAL . 13.4 t80 -72.28 -52.12 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.892 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.18 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 62.329999999999998 111.145 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -27.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.030000000000001 110.854 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.28 -54.0 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.240000000000002 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' PHE . 7.7 p -73.51 -28.52 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.08 45.56 87.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 53.009999999999998 112.484 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.03 -56.3 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 72.239999999999995 110.873 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -52.09 134.49 32.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.85 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.32 -31.86 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 61.119999999999997 110.919 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.455 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' CE ' ' B' ' 23' ' ' MET . 49.6 mm . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.813 0.34 . . . . 61.229999999999997 111.205 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -56.42 -52.13 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 73.049999999999997 111.153 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.24 -29.58 45.8 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 64.430000000000007 112.408 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.41 -54.33 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 70.299999999999997 110.914 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.4 ptp -62.05 -40.24 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.871 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 28' ' ' VAL . 93.0 t -66.67 -52.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.340000000000003 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.92 92.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 70.219999999999999 112.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -44.93 97.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 74.340000000000003 112.444 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 87.1 t -67.18 -44.17 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 74.340000000000003 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.1 t -63.29 -60.78 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.03 -46.07 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.039999999999999 111.168 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.82 -55.54 19.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.530000000000001 111.15 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -59.83 -42.47 93.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 65.530000000000001 111.167 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.0 t -51.97 -51.22 30.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.239999999999995 111.143 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' B' ' 33' ' ' ILE . 44.3 mm -62.11 -41.0 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 111.11 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 30' ' ' ALA . 43.7 t -58.01 -53.44 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.329999999999998 111.104 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.97 -38.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 111.178 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.1 m -62.94 -46.87 85.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.195 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.34 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.299999999999997 110.972 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -58.86 -45.49 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.310000000000002 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -53.86 -44.6 70.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 64.420000000000002 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -36.32 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 71.230000000000004 110.883 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.120000000000005 110.928 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.879 0.371 . . . . 72.120000000000005 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.15 80.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.954 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.57 -34.48 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 53.020000000000003 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -51.84 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.219999999999999 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.49 -30.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.25 111.142 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.47 -27.87 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 63.219999999999999 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' PHE . . . . . 0.506 ' O ' HG12 ' B' ' 12' ' ' VAL . 13.4 t80 -72.25 -52.24 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 71.420000000000002 110.931 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 -38.3 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.55 -27.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 110.82 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.17 -54.05 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 8' ' ' PHE . 7.7 p -73.53 -28.76 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 65.109999999999999 111.13 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.76 45.54 85.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 64.329999999999998 112.528 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 73.209999999999994 110.785 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.845 0.355 . . . . 63.539999999999999 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.632 ' O ' HG23 ' B' ' 27' ' ' VAL . 20.4 ptp -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.835 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.614 ' O ' HG23 ' B' ' 28' ' ' VAL . 94.7 t -66.68 -52.78 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.0 -43.62 93.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.05 97.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 71.299999999999997 112.441 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 23' ' ' MET . 91.3 t -67.2 -44.44 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 64.420000000000002 111.158 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.727 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.6 t -63.15 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.156 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.86 -46.21 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.209999999999994 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.743 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.84 -55.68 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 61.530000000000001 111.107 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 m -59.7 -42.58 93.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 111.105 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 28' ' ' VAL . 86.1 t -52.0 -51.3 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 111.129 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' A' ' 33' ' ' ILE . 44.4 mm -61.89 -40.86 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.010000000000005 111.113 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 30' ' ' ALA . 42.2 t -58.39 -53.31 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.219999999999999 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.96 -38.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 62.109999999999999 111.089 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -46.72 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.450000000000003 111.15 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.26 -46.88 88.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.929 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 34' ' ' VAL . 23.0 t -56.47 -40.99 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.150000000000006 111.107 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.5 ttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.833 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.808 0.337 . . . . 74.099999999999994 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -36.11 83.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 75.430000000000007 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -71.92 -31.76 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.409999999999997 110.894 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -52.8 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 65.400000000000006 110.968 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.84 -32.51 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 52.439999999999998 111.07 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.88 -39.93 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.977 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -75.65 -30.44 59.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 75.129999999999995 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 62.329999999999998 111.09 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -82.91 -39.19 21.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 73.030000000000001 110.879 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.9 -51.5 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 63.240000000000002 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.28 -34.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.159 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.08 -35.36 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 53.009999999999998 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -22.3 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 72.239999999999995 110.924 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 63.51 105.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 71.430000000000007 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -38.14 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.119999999999997 110.844 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 73.319999999999993 112.472 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.803 0.335 . . . . 61.229999999999997 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -58.32 -52.34 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.049999999999997 111.122 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.98 41.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 64.430000000000007 112.496 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -54.98 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 70.299999999999997 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.4 ptm -61.02 -41.11 95.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.857 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.3 t -64.58 -52.61 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 71.340000000000003 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.29 94.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 70.219999999999999 112.465 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -46.11 87.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.340000000000003 112.501 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' MET . 92.4 t -64.37 -35.26 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 74.340000000000003 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 t -69.64 -56.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 111.166 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 33' ' ' ILE . 43.8 mm -56.0 -48.05 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 63.039999999999999 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.4 -58.91 5.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.530000000000001 111.101 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' VAL . 45.9 p -51.66 -52.83 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.423 . . . . 65.530000000000001 111.138 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.0 t -51.3 -51.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 111.176 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.639 HD11 HG22 ' A' ' 29' ' ' ILE . 24.4 mt -57.57 -46.93 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.129999999999995 111.132 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 30' ' ' ALA . 49.9 t -51.92 -54.91 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.329999999999998 111.11 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.71 -36.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.166 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -63.96 -41.7 97.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -67.89 -41.6 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 64.299999999999997 110.961 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 34' ' ' VAL . 23.6 t -57.12 -53.29 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 72.310000000000002 111.16 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -62.62 -35.07 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.420000000000002 110.865 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.07 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.230000000000004 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 110.874 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 72.120000000000005 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -36.9 85.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.891 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -72.42 -32.43 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.020000000000003 110.871 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -52.04 63.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 61.219999999999999 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -62.07 -32.72 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.099 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.29 -41.51 84.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 63.219999999999999 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 -30.63 38.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.420000000000002 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.28 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 63.119999999999997 111.107 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -101.22 -46.8 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 70.420000000000002 110.867 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.78 -37.26 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 65.109999999999999 111.166 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.68 -40.41 2.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 64.329999999999998 112.521 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 73.209999999999994 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.8 0.333 . . . . 63.539999999999999 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.636 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.4 ptm -61.11 -41.48 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.329999999999998 110.88 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.5 t -64.8 -53.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.5 111.151 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.14 94.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 52.240000000000002 112.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.36 85.71 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.807 -0.711 . . . . 71.299999999999997 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 23' ' ' MET . 95.5 t -65.12 -35.71 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 64.420000000000002 111.16 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 24' ' ' VAL . 98.6 t -70.24 -57.04 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.064 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.648 HG22 HD11 ' B' ' 33' ' ' ILE . 43.6 mm -56.29 -48.03 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 111.101 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.23 -58.92 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 61.530000000000001 111.095 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' VAL . 46.5 p -51.56 -52.76 44.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 71.409999999999997 111.234 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 28' ' ' VAL . 96.3 t -51.39 -51.81 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 111.081 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.648 HD11 HG22 ' B' ' 29' ' ' ILE . 25.1 mt -57.31 -46.52 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.010000000000005 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.0 t -51.54 -56.98 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 72.219999999999999 111.139 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -57.72 -35.98 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.109999999999999 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -64.09 -41.86 97.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.450000000000003 111.089 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.83 -41.46 82.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.912 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 34' ' ' VAL . 24.3 t -57.38 -53.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.150000000000006 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 75.400000000000006 110.852 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.812 0.339 . . . . 74.099999999999994 110.834 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.15 -28.73 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.430000000000007 110.862 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -68.9 -34.82 76.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 110.855 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.26 -55.46 31.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.400000000000006 110.963 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.13 -31.02 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 52.439999999999998 111.076 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.71 -30.99 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -74.27 -31.23 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.129999999999995 110.942 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.6 84.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 62.329999999999998 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.71 -28.62 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.030000000000001 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -46.61 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 63.240000000000002 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.45 -25.33 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 111.074 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.17 55.21 8.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 53.009999999999998 112.448 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.3 t -117.27 20.92 13.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 72.239999999999995 110.873 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -108.68 -26.71 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.430000000000007 110.913 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -37.07 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 61.119999999999997 110.878 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 73.319999999999993 112.518 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.899 0.381 . . . . 61.229999999999997 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.22 -39.93 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.049999999999997 111.123 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.92 -27.38 73.95 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 64.430000000000007 112.439 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.64 -42.67 58.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 70.299999999999997 110.901 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.5 ptp -71.14 -40.38 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.916 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.2 t -71.52 -51.47 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 71.340000000000003 111.055 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.86 -33.65 84.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 70.219999999999999 112.477 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.2 -52.13 19.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 74.340000000000003 112.507 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 95.1 t -56.35 -40.61 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 74.340000000000003 111.033 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.6 t -62.41 -57.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 111.132 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.9 -47.08 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 111.144 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.03 -53.46 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 61.530000000000001 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 m -61.36 -40.04 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.530000000000001 111.159 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 28' ' ' VAL . 92.8 t -53.72 -51.33 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.239999999999995 111.106 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' B' ' 33' ' ' ILE . 42.3 mm -62.44 -44.93 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 111.124 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.6 t -54.1 -54.67 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 71.329999999999998 111.167 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.26 -38.16 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.329999999999998 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.1 m -63.93 -38.99 93.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -36.31 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.1 t -63.7 -46.76 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 111.078 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.91 -35.27 78.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.420000000000002 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.31 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 71.230000000000004 110.911 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.120000000000005 110.923 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.08 -28.7 69.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -69.0 -34.77 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 53.020000000000003 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.33 -55.57 30.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 61.219999999999999 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.07 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 75.25 111.103 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -68.66 -30.97 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.219999999999999 110.928 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.34 -31.4 62.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 71.420000000000002 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.4 84.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 63.119999999999997 111.118 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.69 -28.39 68.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.91 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -46.78 78.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.69 -25.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 65.109999999999999 111.066 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.87 54.91 8.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 64.329999999999998 112.527 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 73.209999999999994 110.831 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.584 ' O ' HD12 ' B' ' 22' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.918 0.39 . . . . 63.539999999999999 110.982 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.5 ptp -70.6 -40.97 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.89 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.662 ' O ' HG23 ' B' ' 28' ' ' VAL . 99.2 t -71.6 -50.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.5 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -33.59 83.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 52.240000000000002 112.462 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.69 -52.02 17.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 71.299999999999997 112.503 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' MET . 94.5 t -56.24 -40.16 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 64.420000000000002 111.075 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.748 ' O ' HG23 ' B' ' 32' ' ' VAL . 99.2 t -63.15 -58.08 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 72.25 111.18 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 35.4 mt -52.01 -47.12 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.209999999999994 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -52.21 -53.31 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.530000000000001 111.147 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -61.29 -40.08 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.409999999999997 111.17 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.0 t -53.9 -51.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 111.121 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 33' ' ' ILE . 42.1 mm -62.57 -44.91 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 74.010000000000005 111.151 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -54.11 -54.49 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 111.2 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.42 -38.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.109999999999999 111.113 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -63.85 -39.03 93.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 75.450000000000003 111.145 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -36.2 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.209999999999994 110.954 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 34' ' ' VAL . 96.0 t -63.66 -46.75 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 111.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.907 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.849 0.357 . . . . 74.099999999999994 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -30.33 67.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.430000000000007 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -37.31 83.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 71.409999999999997 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -57.47 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.881 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.17 -27.33 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 52.439999999999998 111.113 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.77 -33.68 61.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.64 -47.84 84.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.0 81.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 111.078 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.65 -26.69 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 73.030000000000001 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -54.01 -31.52 51.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.857 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.19 -31.47 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.409999999999997 111.105 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.17 43.93 93.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 53.009999999999998 112.517 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -119.29 -46.93 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 72.239999999999995 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.35 123.11 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.430000000000007 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -36.12 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 61.119999999999997 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.646 -0.788 . . . . 73.319999999999993 112.459 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.834 0.35 . . . . 61.229999999999997 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -59.43 -51.01 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 73.049999999999997 111.077 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.58 -29.37 53.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.430000000000007 112.498 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.55 -54.18 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 70.299999999999997 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.2 ptp -62.78 -42.36 99.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.869 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.8 t -66.83 -52.9 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.26 56.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 70.219999999999999 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.03 -45.57 31.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 74.340000000000003 112.494 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' THR . 54.9 t -68.74 -34.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 74.340000000000003 111.149 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.0 t -69.05 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.109999999999999 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 33' ' ' ILE . 40.7 mm -55.61 -46.71 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 63.039999999999999 111.147 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.03 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.530000000000001 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' VAL . 42.3 p -53.33 -52.1 60.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 65.530000000000001 111.156 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.6 t -50.63 -51.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 111.094 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 29' ' ' ILE . 23.9 mt -57.25 -44.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.7 t -53.93 -54.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 71.329999999999998 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -58.92 -34.19 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.329999999999998 111.05 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -67.57 -45.77 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 64.400000000000006 111.103 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.22 -45.61 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 64.299999999999997 110.873 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.0 t -61.39 -39.85 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 111.131 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -69.87 -35.1 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 64.420000000000002 110.852 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -47.11 74.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.230000000000004 110.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.120000000000005 110.942 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.896 0.379 . . . . 72.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 74.310000000000002 110.918 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.46 84.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 53.020000000000003 110.944 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -57.89 11.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 61.219999999999999 110.922 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.67 -27.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.154 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -54.86 -33.34 61.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 63.219999999999999 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.47 -48.68 80.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.912 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.87 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 63.119999999999997 111.151 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.57 -26.46 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.843 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -53.72 -31.97 50.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.72 -33.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.109999999999999 111.131 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.54 44.37 85.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 64.329999999999998 112.493 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 73.209999999999994 110.874 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 63.539999999999999 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.7 ptp -61.85 -42.81 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.882 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.698 ' O ' HG23 ' B' ' 28' ' ' VAL . 90.1 t -64.44 -62.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 73.5 111.157 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.71 -27.62 28.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.503 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.96 22.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 71.299999999999997 112.517 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.48 ' O ' HG23 ' B' ' 31' ' ' THR . 0.7 OUTLIER -68.65 -25.36 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 64.420000000000002 111.102 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 24' ' ' VAL . 85.5 t -70.54 -60.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 33' ' ' ILE . 42.4 mm -56.66 -45.93 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.16 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.75 -59.68 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 61.530000000000001 111.116 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.6 p -51.6 -52.38 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 111.211 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 28' ' ' VAL . 99.3 t -50.61 -51.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.409999999999997 111.113 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.586 HD11 HG22 ' B' ' 29' ' ' ILE . 28.2 mt -59.22 -44.11 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.010000000000005 111.114 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.3 t -54.03 -56.48 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 111.157 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.75 -34.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 62.109999999999999 111.094 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -68.64 -46.5 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.450000000000003 111.123 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.99 -44.79 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 74.209999999999994 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 34' ' ' VAL . 95.4 t -60.39 -38.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.874 179.883 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 74.099999999999994 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 -26.32 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.95 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -34.27 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 71.409999999999997 110.917 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -37.7 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 65.400000000000006 110.938 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -41.88 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 111.065 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.14 -35.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 110.81 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -40.23 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.63 71.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 62.329999999999998 111.048 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -26.67 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 73.030000000000001 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -76.08 -45.23 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 63.240000000000002 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.4 t -68.57 -69.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.44 40.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 53.009999999999998 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -112.3 -26.07 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 72.239999999999995 110.934 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.14 22.09 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 71.430000000000007 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -29.68 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.119999999999997 110.907 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 73.319999999999993 112.493 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.785 0.326 . . . . 61.229999999999997 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -52.4 -48.55 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 73.049999999999997 111.136 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -26.96 65.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 64.430000000000007 112.492 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.46 -48.76 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 70.299999999999997 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.26 -52.56 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.866 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.0 t -62.04 -52.88 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.340000000000003 111.107 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.39 93.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 70.219999999999999 112.449 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.83 95.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 74.340000000000003 112.443 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.3 -35.9 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 74.340000000000003 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.5 t -69.1 -55.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 111.114 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mt -53.52 -50.06 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.041 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.18 -59.09 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 61.530000000000001 111.128 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.74 -51.75 53.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 65.530000000000001 111.151 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.9 t -50.43 -51.82 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.239999999999995 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.43 -52.42 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.129999999999995 111.203 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 30' ' ' ALA . 61.2 t -51.31 -55.04 9.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 71.329999999999998 111.106 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mt -56.15 -35.66 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.329999999999998 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -70.29 -45.1 66.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 64.400000000000006 111.157 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.56 -37.96 88.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 64.299999999999997 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.1 t -65.34 -52.21 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 72.310000000000002 111.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.7 ptm -66.98 -35.13 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 64.420000000000002 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.54 -43.96 92.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 71.230000000000004 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 71.120000000000005 110.861 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.737 0.304 . . . . 72.120000000000005 110.792 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.05 -26.17 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.876 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.1 77.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 53.020000000000003 110.911 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.17 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 61.219999999999999 110.875 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.74 -41.89 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.25 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.26 -34.81 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 63.219999999999999 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.67 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 71.420000000000002 110.897 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -39.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 63.119999999999997 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -26.28 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 70.420000000000002 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -75.62 -44.53 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.93 -71.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 65.109999999999999 111.12 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.449 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 73.209999999999994 110.887 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.791 0.329 . . . . 63.539999999999999 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -70.41 -60.11 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.329999999999998 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.716 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.7 t -58.76 -57.73 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -34.08 70.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.686 -0.768 . . . . 52.240000000000002 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.29 -48.62 81.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 71.299999999999997 112.476 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 31' ' ' THR . 0.3 OUTLIER -69.0 -26.98 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 64.420000000000002 111.113 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 24' ' ' VAL . 99.2 t -70.32 -57.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.25 111.168 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -47.93 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.209999999999994 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.681 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -53.86 -58.84 5.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 61.530000000000001 111.061 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.3 p -51.29 -51.5 53.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.409999999999997 111.117 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 28' ' ' VAL . 89.9 t -50.63 -54.16 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.409999999999997 111.117 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.58 -52.3 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 111.127 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.8 t -51.55 -57.78 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 111.153 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -53.27 -35.26 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 62.109999999999999 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -70.72 -45.23 65.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 75.450000000000003 111.167 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.28 -37.91 84.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 34' ' ' VAL . 92.4 t -64.62 -52.08 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.108 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 75.400000000000006 110.917 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 74.099999999999994 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.38 -26.44 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.430000000000007 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.64 -37.48 73.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.89 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -51.35 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 65.400000000000006 110.897 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.43 -34.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 52.439999999999998 111.083 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.33 -30.25 69.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 110.896 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -35.06 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.129999999999995 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -48.15 81.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 62.329999999999998 111.095 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.030000000000001 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.81 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 63.240000000000002 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -75.69 -61.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.23 21.61 40.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 53.009999999999998 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -56.22 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.907 0.384 . . . . 72.239999999999995 110.825 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.23 111.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 71.430000000000007 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.66 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 61.119999999999997 110.88 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.762 -0.732 . . . . 73.319999999999993 112.521 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.445 HG23 ' CE ' ' B' ' 23' ' ' MET . 65.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.832 0.349 . . . . 61.229999999999997 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.6 mm -52.31 -51.3 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 111.143 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.05 -26.12 60.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 64.430000000000007 112.449 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.52 -49.17 27.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 70.299999999999997 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.9 mtp -72.44 -52.52 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.825 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.2 t -61.6 -47.51 93.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 111.135 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.86 -47.27 87.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.777 . . . . 70.219999999999999 112.453 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.13 -41.72 79.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 74.340000000000003 112.486 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' MET . 86.6 t -69.98 -50.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 74.340000000000003 111.179 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.4 t -58.57 -57.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 111.124 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.89 -48.94 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 63.039999999999999 111.149 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 61.530000000000001 111.104 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.27 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.530000000000001 111.107 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.9 t -57.12 -51.59 67.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' B' ' 33' ' ' ILE . 42.0 mm -60.77 -43.46 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 72.129999999999995 111.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.9 t -55.86 -54.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.129 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.58 -35.86 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.17 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -64.5 -41.22 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.400000000000006 111.131 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.56 -47.62 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 64.299999999999997 110.942 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.99 -43.7 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 111.112 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -44.06 89.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 64.420000000000002 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.32 -28.31 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.230000000000004 110.912 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 110.831 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 72.120000000000005 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.42 -26.32 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.842 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.53 -37.44 73.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.020000000000003 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -51.48 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 61.219999999999999 110.941 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.55 -34.93 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -30.02 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.219999999999999 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -34.98 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 71.420000000000002 110.932 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.59 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 111.118 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.97 -34.06 75.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -52.54 -54.52 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.2 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.109999999999999 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.37 39.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 64.329999999999998 112.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 73.209999999999994 110.838 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.778 0.323 . . . . 63.539999999999999 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.593 ' O ' HG23 ' B' ' 27' ' ' VAL . 4.0 mtp -76.29 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 74.329999999999998 110.819 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.633 ' O ' HG23 ' B' ' 28' ' ' VAL . 65.3 t -59.48 -47.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.5 111.134 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.12 79.0 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.719 -0.753 . . . . 52.240000000000002 112.536 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.92 82.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 71.299999999999997 112.452 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 23' ' ' MET . 88.2 t -70.03 -50.7 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 64.420000000000002 111.098 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.8 t -58.44 -57.29 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.66 -49.09 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 111.158 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.737 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.82 -52.39 49.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.530000000000001 111.108 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.21 -38.21 85.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.409999999999997 111.154 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 91.6 t -56.87 -51.55 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 72.409999999999997 111.056 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 33' ' ' ILE . 41.3 mm -61.04 -43.53 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.010000000000005 111.195 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -56.18 -54.37 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.219999999999999 111.149 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.81 -36.1 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 62.109999999999999 111.104 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -64.7 -41.7 95.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.450000000000003 111.223 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.19 -46.81 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.209999999999994 110.898 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.150000000000006 111.101 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.400000000000006 110.9 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 74.099999999999994 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -54.9 -30.08 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -36.8 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.409999999999997 110.89 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.05 -34.51 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -73.26 -33.95 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 52.439999999999998 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -33.73 71.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 75.420000000000002 110.846 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -47.55 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.129999999999995 110.853 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -38.26 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.062 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.61 -33.09 60.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 73.030000000000001 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.87 -49.35 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 63.240000000000002 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.3 t -82.73 -35.67 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 111.149 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.69 21.12 75.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 53.009999999999998 112.446 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 t -104.52 20.99 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 72.239999999999995 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.35 22.08 14.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 71.430000000000007 110.862 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -54.2 -35.76 62.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 61.119999999999997 110.91 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 73.319999999999993 112.526 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 61.229999999999997 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.48 -49.71 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.049999999999997 111.112 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.17 -23.3 63.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 64.430000000000007 112.478 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.4 -54.49 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.299999999999997 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.78 -40.44 72.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.946 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 28' ' ' VAL . 75.3 t -72.99 -52.62 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 71.340000000000003 111.146 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.81 74.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 70.219999999999999 112.506 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.23 -52.25 9.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.340000000000003 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 23' ' ' MET . 88.5 t -57.3 -36.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 74.340000000000003 111.11 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 32' ' ' VAL . 88.5 t -67.54 -54.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 111.076 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.93 -49.94 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 63.039999999999999 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.27 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 61.530000000000001 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.47 -51.6 53.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 65.530000000000001 111.187 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 28' ' ' VAL . 95.7 t -50.69 -51.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 111.057 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.88 -42.9 94.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 62.0 t -60.37 -55.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.329999999999998 111.107 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -55.18 -33.32 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.329999999999998 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -67.79 -53.64 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.400000000000006 111.163 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.3 -43.11 82.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 64.299999999999997 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.24 -29.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 111.119 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -68.02 -34.21 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 64.420000000000002 110.943 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.16 -33.18 14.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 71.230000000000004 110.972 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 71.120000000000005 110.888 179.788 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.886 0.374 . . . . 72.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -55.02 -30.01 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 110.897 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.18 -36.86 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 53.020000000000003 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.01 -34.9 58.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 61.219999999999999 110.95 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.55 -33.96 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.139 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -33.4 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 63.219999999999999 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -47.97 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.420000000000002 110.839 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.71 -38.78 67.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 111.113 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.07 -32.68 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.941 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.32 -49.21 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.64 -36.8 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 65.109999999999999 111.127 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.65 21.61 76.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.761 -0.733 . . . . 64.329999999999998 112.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 73.209999999999994 110.833 -179.763 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 63.539999999999999 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.609 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.94 -39.9 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.879 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.621 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.9 t -73.71 -51.64 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.167 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.42 -30.9 72.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 52.240000000000002 112.56 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.29 -52.83 7.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 71.299999999999997 112.461 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 23' ' ' MET . 89.6 t -56.52 -36.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 64.420000000000002 111.151 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.671 ' O ' HG23 ' B' ' 32' ' ' VAL . 84.7 t -68.1 -56.53 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.103 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.53 -49.28 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 111.151 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.699 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.21 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 61.530000000000001 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' VAL . 41.3 p -51.3 -51.58 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.409999999999997 111.147 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 28' ' ' VAL . 85.8 t -50.78 -54.91 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 111.187 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.99 -42.13 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.010000000000005 111.099 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 30' ' ' ALA . 68.0 t -61.36 -59.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 111.174 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.59 -30.84 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 62.109999999999999 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 83.3 m -67.4 -57.21 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.450000000000003 111.072 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.47 -38.75 92.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.209999999999994 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 34' ' ' VAL . 84.5 t -61.57 -37.12 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.150000000000006 111.11 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 75.400000000000006 110.83 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.837 0.351 . . . . 74.099999999999994 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.76 73.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.430000000000007 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.96 -31.23 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.409999999999997 110.841 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.56 -31.82 73.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 65.400000000000006 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.12 -57.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 52.439999999999998 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.63 -25.69 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -72.11 -45.26 61.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.855 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.642 ' HB1' ' ND2' ' A' ' 15' ' ' ASN . . . -54.72 -51.49 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 62.329999999999998 111.097 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -29.07 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 110.924 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.69 -55.04 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 63.240000000000002 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.58 -47.87 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 111.108 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 19.98 65.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 53.009999999999998 112.533 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -120.98 20.94 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.239999999999995 110.861 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.642 ' ND2' ' HB1' ' A' ' 9' ' ' ALA . 20.1 p30 -81.35 -27.34 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.875 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -43.28 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 61.119999999999997 110.916 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.801 -0.714 . . . . 73.319999999999993 112.432 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 61.229999999999997 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -55.31 -52.22 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 111.1 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -28.54 50.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 64.430000000000007 112.538 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.4 -53.33 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 70.299999999999997 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.6 ptm -64.33 -40.49 96.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.905 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 28' ' ' VAL . 99.1 t -68.45 -52.3 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 71.340000000000003 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.42 -34.98 91.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 70.219999999999999 112.463 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.36 80.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 74.340000000000003 112.497 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 23' ' ' MET . 89.6 t -64.19 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 74.340000000000003 111.079 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.8 t -64.32 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.109999999999999 111.118 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.63 -48.03 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.039999999999999 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.8 -53.08 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 61.530000000000001 111.097 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.37 -34.45 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.530000000000001 111.187 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 28' ' ' VAL . 47.7 t -61.95 -44.82 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 111.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' B' ' 33' ' ' ILE . 36.4 mm -70.8 -32.8 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 111.154 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.2 t -69.22 -54.98 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.329999999999998 111.103 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.29 -36.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.2 m -73.9 -37.17 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.400000000000006 111.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.717 ' HB2' HD12 ' B' ' 37' ' ' LEU . 5.3 tt -68.55 -40.45 80.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 92.0 t -66.62 -53.64 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.3 ptm -59.58 -35.02 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 64.420000000000002 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -25.95 61.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 71.230000000000004 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.928 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 72.120000000000005 110.825 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.7 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 74.310000000000002 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.88 -31.04 48.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 53.020000000000003 110.868 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.38 -31.84 73.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 61.219999999999999 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.512 HG12 ' H ' ' B' ' 8' ' ' PHE . 47.3 t -85.02 -57.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.14 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 49.29 28.57 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 63.219999999999999 110.825 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' PHE . . . . . 0.512 ' H ' HG12 ' B' ' 6' ' ' VAL . 92.4 t80 -72.46 -45.58 58.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 110.817 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.56 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.119999999999997 111.096 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -28.74 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.420000000000002 110.893 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -55.44 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.819 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.96 -48.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.109999999999999 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 19.68 68.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 64.329999999999998 112.517 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 110.894 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 63.539999999999999 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.64 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.6 ptm -64.14 -40.74 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.853 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.3 t -68.15 -52.2 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.163 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.05 91.56 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.742 . . . . 52.240000000000002 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.12 82.1 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.687 -0.768 . . . . 71.299999999999997 112.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 23' ' ' MET . 92.2 t -64.26 -38.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 64.420000000000002 111.127 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.4 t -64.12 -58.75 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.069 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.61 -48.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 72.209999999999994 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.91 -52.57 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 61.530000000000001 111.143 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.76 -34.66 73.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.409999999999997 111.124 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 28' ' ' VAL . 48.2 t -61.85 -45.21 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.409999999999997 111.073 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' A' ' 33' ' ' ILE . 36.3 mm -70.11 -32.09 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 111.162 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.7 t -69.48 -56.31 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 72.219999999999999 111.121 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -59.32 -35.58 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 62.109999999999999 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.4 m -75.18 -36.5 61.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.450000000000003 111.167 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 37' ' ' LEU . 4.8 tt -68.71 -40.47 79.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 74.209999999999994 110.962 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 34' ' ' VAL . 89.4 t -67.38 -54.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.143 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ptm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 75.400000000000006 110.841 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.354 . . . . 74.099999999999994 110.781 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.13 -32.39 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 75.430000000000007 110.954 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -67.17 -32.26 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -44.28 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 65.400000000000006 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -66.12 -38.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 52.439999999999998 111.151 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -25.65 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.41 -31.15 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 15' ' ' ASN . . . -54.41 -31.92 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 62.329999999999998 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -27.46 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.030000000000001 110.867 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -81.49 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.240000000000002 110.841 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -100.38 -69.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.09 44.17 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 53.009999999999998 112.467 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -56.22 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 72.239999999999995 110.91 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.416 HD21 ' HB2' ' A' ' 9' ' ' ALA . 6.9 m120 58.7 179.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 71.430000000000007 110.819 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.5 -35.47 77.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 61.119999999999997 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 73.319999999999993 112.45 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.883 0.373 . . . . 61.229999999999997 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.35 -47.45 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 73.049999999999997 111.151 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -28.33 66.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.845 -0.693 . . . . 64.430000000000007 112.477 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.56 -50.3 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 70.299999999999997 110.864 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.639 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.8 ptm -67.25 -41.72 85.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.5 t -69.25 -52.42 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 71.340000000000003 111.144 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -32.51 84.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 70.219999999999999 112.478 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.87 -46.7 65.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 74.340000000000003 112.534 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 23' ' ' MET . 85.4 t -64.49 -40.71 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 74.340000000000003 111.165 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.0 t -63.59 -59.3 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.9 mt -51.87 -46.59 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.091 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.41 -57.93 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 61.530000000000001 111.146 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 m -55.69 -40.44 72.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 65.530000000000001 111.148 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 28' ' ' VAL . 59.1 t -54.68 -47.07 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.239999999999995 111.192 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' B' ' 33' ' ' ILE . 39.5 mm -71.07 -32.72 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 72.129999999999995 111.095 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 30' ' ' ALA . 54.2 t -67.03 -55.11 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 71.329999999999998 111.104 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.2 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.6 m -73.48 -37.07 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 64.400000000000006 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 37' ' ' LEU . 6.2 tt -65.83 -45.76 81.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 64.299999999999997 110.885 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.69 -30.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 111.137 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -38.01 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.864 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -42.86 95.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 71.230000000000004 110.925 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.120000000000005 110.902 179.813 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.803 0.335 . . . . 72.120000000000005 110.843 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.15 -32.95 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 74.310000000000002 110.897 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -68.07 -32.3 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 53.020000000000003 110.895 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -44.47 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 61.219999999999999 110.88 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.5 t -65.96 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.152 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 49.44 28.66 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 63.219999999999999 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.94 -31.36 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.8 -32.52 60.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 63.119999999999997 111.104 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -27.74 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 70.420000000000002 110.829 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -81.64 -55.16 4.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 t -100.39 -69.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 65.109999999999999 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 44.16 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 64.329999999999998 112.523 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 73.209999999999994 110.871 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 63.539999999999999 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.631 ' O ' HG23 ' B' ' 27' ' ' VAL . 16.0 ptm -67.01 -41.74 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.659 ' O ' HG23 ' B' ' 28' ' ' VAL . 97.3 t -69.27 -52.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.5 111.166 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -32.56 84.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 52.240000000000002 112.546 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.88 63.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.808 -0.711 . . . . 71.299999999999997 112.436 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 23' ' ' MET . 86.6 t -64.45 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 64.420000000000002 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.3 t -63.13 -59.5 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.25 111.15 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.47 -47.51 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.747 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.39 -58.09 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.530000000000001 111.13 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -54.96 -41.21 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 71.409999999999997 111.137 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 28' ' ' VAL . 57.6 t -54.27 -48.33 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.409999999999997 111.09 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' A' ' 33' ' ' ILE . 39.2 mm -69.51 -30.96 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.010000000000005 111.171 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 30' ' ' ALA . 60.1 t -66.84 -57.6 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 72.219999999999999 111.169 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -35.41 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 62.109999999999999 111.134 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.9 m -72.93 -35.87 67.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 75.450000000000003 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.4 ' HB2' HD12 ' A' ' 37' ' ' LEU . 6.0 tt -67.17 -45.81 75.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.998 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -73.37 -29.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.150000000000006 111.177 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.400000000000006 110.894 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 75.340000000000003 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.458 ' H ' HD12 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -139.61 -74.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 74.099999999999994 110.862 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -50.11 73.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.430000000000007 110.93 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -52.78 -46.24 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.32 -31.27 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 65.400000000000006 110.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.44 -38.9 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 52.439999999999998 111.125 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.39 -38.3 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 75.420000000000002 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.03 -30.9 64.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.129999999999995 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.35 -31.64 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 62.329999999999998 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -35.36 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.884 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.78 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 63.240000000000002 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.58 -66.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.28 78.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 53.009999999999998 112.439 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 m -125.88 20.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 72.239999999999995 110.819 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -116.87 -45.72 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.907 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -51.89 -30.28 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 110.88 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.02 88.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.88 -53.52 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 74.439999999999998 111.108 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.637 HG23 ' CE ' ' B' ' 23' ' ' MET . 47.1 mm -60.6 -56.4 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 61.229999999999997 111.164 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 24' ' ' VAL . 43.6 mm -57.97 -49.59 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 73.049999999999997 111.128 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.55 -27.3 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 64.430000000000007 112.548 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.52 -49.46 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 70.299999999999997 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.3 ptp -69.85 -41.38 74.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.845 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 28' ' ' VAL . 97.1 t -68.46 -52.53 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 111.129 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.74 96.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 70.219999999999999 112.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.92 -49.43 75.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 74.340000000000003 112.463 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 93.7 t -62.54 -43.93 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 74.340000000000003 111.129 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.6 t -64.33 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 111.117 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.84 -45.29 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 63.039999999999999 111.11 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.91 -56.76 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 61.530000000000001 111.093 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -58.33 -41.93 85.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 65.530000000000001 111.107 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.8 t -51.75 -51.61 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.138 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 33' ' ' ILE . 45.3 mm -63.56 -35.97 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.129999999999995 111.104 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 30' ' ' ALA . 45.5 t -63.54 -54.64 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 111.098 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.81 -39.68 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 71.329999999999998 111.127 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 m -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.46 -43.82 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 64.299999999999997 110.901 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.8 t -60.76 -40.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 111.114 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -38.48 77.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 110.911 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.29 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 71.230000000000004 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -26.44 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 110.931 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -52.22 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 72.230000000000004 110.896 179.834 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 53.219999999999999 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.59 -74.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 72.120000000000005 110.865 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -49.12 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 74.310000000000002 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -51.98 -45.74 64.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 53.020000000000003 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 2' ' ' SER . 2.2 mm? -51.94 -32.16 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 61.219999999999999 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.99 -37.38 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.25 111.121 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -52.06 -35.23 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -54.37 -32.47 57.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.420000000000002 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.11 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 63.119999999999997 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -30.66 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -46.0 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.847 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.524 HG12 ' H ' ' B' ' 14' ' ' SER . 42.7 t -96.73 -70.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 65.109999999999999 111.157 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.07 73.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 64.329999999999998 112.491 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.524 ' H ' HG12 ' B' ' 12' ' ' VAL . 44.0 m -123.02 25.85 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.209999999999994 110.84 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -113.79 -47.79 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -53.8 -30.37 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 71.209999999999994 110.879 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.09 -30.61 78.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 53.420000000000002 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.73 -53.41 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.140000000000001 111.109 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -60.6 -57.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 64.109999999999999 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.514 ' O ' HG23 ' B' ' 24' ' ' VAL . 43.8 mm -59.43 -49.33 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.096 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -26.74 63.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.506 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.19 -49.49 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 63.539999999999999 110.877 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.637 ' CE ' HG23 ' A' ' 19' ' ' ILE . 19.6 ptp -69.95 -41.56 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.882 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.597 ' O ' HG23 ' B' ' 28' ' ' VAL . 98.1 t -68.41 -53.04 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.56 -41.41 97.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.240000000000002 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -49.53 75.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 71.299999999999997 112.468 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 23' ' ' MET . 92.8 t -62.76 -43.94 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 64.420000000000002 111.166 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 87.4 t -64.27 -61.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.12 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -52.33 -45.14 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.209999999999994 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.76 -57.13 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.530000000000001 111.13 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m -58.59 -41.95 86.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 111.098 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 93.1 t -51.68 -51.62 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' ILE . 45.8 mm -63.56 -36.09 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 111.142 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 45.8 t -63.47 -54.85 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 111.139 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.15 -39.79 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 62.109999999999999 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 59.7 m -63.84 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.450000000000003 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.14 -43.69 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 110.927 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 34' ' ' VAL . 97.3 t -60.81 -40.87 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.150000000000006 111.094 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -38.38 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 110.883 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 73.540000000000006 110.921 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -26.55 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.120000000000005 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -52.16 -65.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.030000000000001 110.91 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 35.43 110.899 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.525 -0.23 . . . . 75.340000000000003 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -114.97 165.53 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 74.099999999999994 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -29.24 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 75.430000000000007 110.918 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -34.93 55.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.968 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.400000000000006 110.93 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.92 -39.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 52.439999999999998 111.133 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.17 -38.23 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -41.39 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.129999999999995 110.843 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.2 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.329999999999998 111.146 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -78.22 -32.34 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.030000000000001 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -39.96 95.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 110.846 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -93.56 -65.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 111.093 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 32.73 20.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 53.009999999999998 112.461 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -108.43 -28.68 9.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 72.239999999999995 110.876 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.96 124.13 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 110.878 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.1 -41.4 68.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 61.119999999999997 110.889 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.72 -35.33 52.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 73.319999999999993 112.548 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -51.81 42.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.439999999999998 111.067 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm -55.73 -58.46 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 61.229999999999997 111.131 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -52.36 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.049999999999997 111.121 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.77 58.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 64.430000000000007 112.454 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.54 -49.53 25.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 70.299999999999997 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.1 mtp -72.32 -52.53 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.82 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 28' ' ' VAL . 60.0 t -60.6 -46.45 95.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 71.340000000000003 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -46.05 90.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 70.219999999999999 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.9 84.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 74.340000000000003 112.463 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' MET . 93.0 t -70.05 -47.97 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.340000000000003 111.071 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.2 t -60.7 -57.44 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 111.095 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.74 -48.92 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 63.039999999999999 111.165 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.71 -53.6 37.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.530000000000001 111.097 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -42.59 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 65.530000000000001 111.14 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.7 t -52.41 -51.55 32.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 111.193 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' B' ' 33' ' ' ILE . 40.7 mm -60.82 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 72.129999999999995 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ALA . 39.3 t -56.32 -51.68 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.329999999999998 111.167 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.86 -37.23 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 71.329999999999998 111.152 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -41.73 98.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 111.189 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -66.7 -45.5 78.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 64.299999999999997 110.921 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.69 -36.93 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 111.168 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -38.1 78.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 64.420000000000002 110.853 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.89 -26.08 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 71.230000000000004 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 37' ' ' LEU . 3.1 mmmt -82.95 -40.4 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.120000000000005 110.893 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -26.14 63.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 75.129999999999995 110.895 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.927 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.507 -0.237 . . . . 53.219999999999999 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -114.99 165.56 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.120000000000005 110.857 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.67 -29.11 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -34.75 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 53.020000000000003 110.949 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.54 99.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 61.219999999999999 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.95 -39.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.178 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.23 -38.04 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 63.219999999999999 110.874 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -41.07 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 71.420000000000002 110.889 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.53 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 63.119999999999997 111.062 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -78.49 -32.47 48.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 70.420000000000002 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -39.59 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.894 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.9 t -93.1 -65.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 65.109999999999999 111.063 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.92 33.49 18.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.721 -0.752 . . . . 64.329999999999998 112.484 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t -108.09 -27.98 9.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 73.209999999999994 110.777 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -60.48 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.858 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.29 -41.27 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 110.944 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.83 -36.01 54.34 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.655 -0.783 . . . . 53.420000000000002 112.48 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.95 34.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 74.140000000000001 111.139 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.76 -58.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 64.109999999999999 111.163 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.43 -52.72 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 64.5 111.181 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -26.74 60.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 73.299999999999997 112.451 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.02 -47.31 52.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.84 0.352 . . . . 63.539999999999999 110.932 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.459 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.9 mtp -76.18 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.906 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.651 ' O ' HG23 ' B' ' 28' ' ' VAL . 59.8 t -59.02 -46.02 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.094 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -46.16 89.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 52.240000000000002 112.45 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.61 84.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.807 -0.711 . . . . 71.299999999999997 112.487 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 23' ' ' MET . 89.8 t -69.79 -47.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 64.420000000000002 111.141 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.9 t -60.47 -57.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.25 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.62 -49.15 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 111.164 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.74 -53.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 61.530000000000001 111.117 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 20.8 m -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 111.145 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.9 t -52.33 -51.62 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 72.409999999999997 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -60.75 -44.19 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.010000000000005 111.086 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 39.8 t -56.32 -51.53 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.7 mt -60.56 -37.11 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 62.109999999999999 111.156 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -63.48 -41.85 98.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 75.450000000000003 111.125 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.78 -45.63 77.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.954 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.65 -37.03 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.150000000000006 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.14 78.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 110.885 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.96 -26.02 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.540000000000006 110.876 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.516 ' HG3' HD23 ' B' ' 37' ' ' LEU . 3.1 mmmt -82.93 -40.52 20.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 110.874 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.1 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 72.030000000000001 110.965 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 35.43 110.915 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.468 -0.253 . . . . 75.340000000000003 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.6 149.34 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 74.099999999999994 110.869 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.430000000000007 110.899 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.27 -39.9 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 71.409999999999997 110.92 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -53.14 52.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 65.400000000000006 110.946 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.93 -37.7 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 52.439999999999998 111.165 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -34.18 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.420000000000002 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.02 -42.71 97.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.83 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 62.329999999999998 111.082 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -35.12 60.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 73.030000000000001 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.92 -29.95 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 63.240000000000002 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -99.46 -56.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 111.142 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.32 -42.59 2.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 53.009999999999998 112.489 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.0 m -106.83 21.09 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 72.239999999999995 110.907 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -61.99 -26.43 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 71.430000000000007 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.39 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 61.119999999999997 110.927 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.36 -37.21 47.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.319999999999993 112.447 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.85 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 74.439999999999998 111.076 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm -56.38 -58.4 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 61.229999999999997 111.136 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -51.01 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.049999999999997 111.069 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.29 -26.12 61.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 64.430000000000007 112.464 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.62 -49.21 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 70.299999999999997 110.846 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.0 mtp -72.35 -52.51 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.8 t -61.78 -50.81 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.340000000000003 111.143 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.9 -47.02 92.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 70.219999999999999 112.536 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.68 -42.1 76.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 74.340000000000003 112.484 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' MET . 97.0 t -70.23 -41.76 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 74.340000000000003 111.152 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.7 t -64.7 -59.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.124 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.6 -48.69 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 63.039999999999999 111.055 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.67 -52.43 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 61.530000000000001 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -62.02 -42.52 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 65.530000000000001 111.138 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.0 t -51.73 -51.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.153 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' B' ' 33' ' ' ILE . 40.8 mm -61.5 -47.5 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 30' ' ' ALA . 47.7 t -52.3 -54.79 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.078 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.25 -34.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 71.329999999999998 111.146 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.69 -41.82 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 64.400000000000006 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -66.91 -50.81 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 64.299999999999997 110.934 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -57.9 -43.66 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 111.173 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 mmm -64.73 -40.24 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.420000000000002 110.974 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 40' ' ' LEU . 10.9 tp -60.97 -36.2 78.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 71.230000000000004 110.885 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -83.22 -29.7 28.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.875 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -65.35 -51.77 58.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.129999999999995 110.86 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.523 -0.231 . . . . 53.219999999999999 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 149.26 39.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 72.120000000000005 110.898 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.97 -33.04 70.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.310000000000002 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.31 -40.26 77.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 53.020000000000003 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -53.03 56.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 61.219999999999999 110.9 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.86 -37.55 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.114 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -34.6 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 63.219999999999999 110.929 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.49 -43.21 94.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.420000000000002 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.07 75.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 63.119999999999997 111.085 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -34.66 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.420000000000002 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -55.49 -30.91 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.924 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.47 -56.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.109999999999999 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.97 -44.46 2.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 64.329999999999998 112.51 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -108.31 23.17 14.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 73.209999999999994 110.889 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -63.41 -27.91 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.129999999999995 110.893 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -39.19 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 71.209999999999994 110.94 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.93 -38.81 55.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 53.420000000000002 112.478 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -50.12 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.738 0.304 . . . . 74.140000000000001 111.105 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.67 -58.83 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 64.109999999999999 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.39 -51.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 64.5 111.121 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.49 -27.44 63.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.774 . . . . 73.299999999999997 112.504 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.76 -47.12 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 63.539999999999999 110.961 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.51 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.5 mtp -75.5 -59.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.686 ' O ' HG23 ' B' ' 28' ' ' VAL . 58.0 t -59.71 -49.43 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.11 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -47.5 89.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 52.240000000000002 112.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.05 -41.97 70.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 71.299999999999997 112.532 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 23' ' ' MET . 93.2 t -69.87 -41.73 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 64.420000000000002 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.3 t -64.58 -58.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.151 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -51.51 -48.84 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 72.209999999999994 111.118 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.733 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.65 -52.29 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.530000000000001 111.08 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.3 m -62.14 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 111.174 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 28' ' ' VAL . 98.5 t -51.62 -51.93 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 72.409999999999997 111.142 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -61.29 -48.13 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.010000000000005 111.095 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 30' ' ' ALA . 47.6 t -52.67 -54.79 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.219999999999999 111.192 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.4 -34.68 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 62.109999999999999 111.102 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.27 -42.21 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 75.450000000000003 111.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.19 -51.05 58.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.889 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 34' ' ' VAL . 21.8 t -58.03 -43.4 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.150000000000006 111.18 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 30.1 mmm -64.77 -40.21 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 110.869 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.481 ' O ' HD12 ' B' ' 40' ' ' LEU . 11.1 tp -60.96 -36.37 79.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 73.540000000000006 110.928 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -83.39 -29.71 27.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.877 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -65.39 -51.85 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.869 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 35.43 110.889 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.515 -0.234 . . . . 75.340000000000003 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -151.1 -44.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.823 0.344 . . . . 74.099999999999994 110.829 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -39.17 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.430000000000007 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.52 -34.46 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.409999999999997 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.76 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.54 -30.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 52.439999999999998 111.127 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.67 -27.82 63.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.516 ' O ' HG12 ' A' ' 12' ' ' VAL . 13.4 t80 -72.28 -52.12 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.892 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -54.44 -38.18 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 62.329999999999998 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -27.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.030000000000001 110.854 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.28 -54.0 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.240000000000002 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' PHE . 7.7 p -73.51 -28.52 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.08 45.56 87.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 53.009999999999998 112.484 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.03 -56.3 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 72.239999999999995 110.873 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -52.09 134.49 32.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.85 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.32 -31.86 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 61.119999999999997 110.919 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.47 -44.19 58.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 73.319999999999993 112.455 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -60.86 -49.17 78.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 74.439999999999998 111.093 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' CE ' ' B' ' 23' ' ' MET . 49.6 mm -56.27 -58.41 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 61.229999999999997 111.205 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -56.42 -52.13 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 73.049999999999997 111.153 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.24 -29.58 45.8 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 64.430000000000007 112.408 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.41 -54.33 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 70.299999999999997 110.914 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.4 ptp -62.05 -40.24 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.871 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 28' ' ' VAL . 93.0 t -66.67 -52.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.340000000000003 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.92 92.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 70.219999999999999 112.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -44.93 97.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 74.340000000000003 112.444 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 87.1 t -67.18 -44.17 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 74.340000000000003 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.1 t -63.29 -60.78 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.03 -46.07 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.039999999999999 111.168 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.82 -55.54 19.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.530000000000001 111.15 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -59.83 -42.47 93.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 65.530000000000001 111.167 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.0 t -51.97 -51.22 30.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.239999999999995 111.143 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' B' ' 33' ' ' ILE . 44.3 mm -62.11 -41.0 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 111.11 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 30' ' ' ALA . 43.7 t -58.01 -53.44 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.329999999999998 111.104 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.97 -38.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 111.178 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.1 m -62.94 -46.87 85.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.195 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.34 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.299999999999997 110.972 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -58.86 -45.49 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.310000000000002 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -53.86 -44.6 70.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 64.420000000000002 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -36.32 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 71.230000000000004 110.883 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -26.95 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.120000000000005 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -173.32 135.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.876 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.230000000000004 110.9 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.518 -0.233 . . . . 53.219999999999999 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -151.1 -44.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 72.120000000000005 110.881 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.15 80.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.954 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.57 -34.48 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 53.020000000000003 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -51.84 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.219999999999999 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.49 -30.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.25 111.142 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.47 -27.87 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 63.219999999999999 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.506 ' O ' HG12 ' B' ' 12' ' ' VAL . 13.4 t80 -72.25 -52.24 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 71.420000000000002 110.931 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' B' ' 18' ' ' ALA . . . -54.53 -38.3 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 111.121 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.55 -27.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 110.82 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.17 -54.05 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 8' ' ' PHE . 7.7 p -73.53 -28.76 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 65.109999999999999 111.13 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.76 45.54 85.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 64.329999999999998 112.528 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.09 -56.61 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 73.209999999999994 110.785 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -52.29 134.2 33.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.129999999999995 110.852 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.74 -32.07 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 71.209999999999994 110.869 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.79 -44.17 60.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 53.420000000000002 112.547 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.544 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . . . -61.04 -49.09 78.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.755 0.312 . . . . 74.140000000000001 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.511 HG23 ' CE ' ' A' ' 23' ' ' MET . 50.2 mm -56.4 -58.35 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 111.154 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.563 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.7 mm -56.99 -52.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 64.5 111.138 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.97 44.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 73.299999999999997 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.96 -54.46 7.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 63.539999999999999 110.925 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.632 ' O ' HG23 ' B' ' 27' ' ' VAL . 20.4 ptp -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.835 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.614 ' O ' HG23 ' B' ' 28' ' ' VAL . 94.7 t -66.68 -52.78 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.0 -43.62 93.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.05 97.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 71.299999999999997 112.441 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 23' ' ' MET . 91.3 t -67.2 -44.44 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 64.420000000000002 111.158 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.727 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.6 t -63.15 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.156 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.86 -46.21 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.209999999999994 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.743 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.84 -55.68 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 61.530000000000001 111.107 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 m -59.7 -42.58 93.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 111.105 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 28' ' ' VAL . 86.1 t -52.0 -51.3 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 111.129 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' A' ' 33' ' ' ILE . 44.4 mm -61.89 -40.86 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.010000000000005 111.113 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 30' ' ' ALA . 42.2 t -58.39 -53.31 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.219999999999999 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.96 -38.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 62.109999999999999 111.089 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -46.72 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.450000000000003 111.15 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.26 -46.88 88.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.929 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 34' ' ' VAL . 23.0 t -56.47 -40.99 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.150000000000006 111.107 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.5 ttp -73.73 -44.09 57.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.833 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -36.13 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 73.540000000000006 110.906 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -27.25 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.120000000000005 110.957 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -173.19 135.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.030000000000001 110.863 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 35.43 110.937 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.435 0 N-CA-C 112.513 -0.235 . . . . 75.340000000000003 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.98 165.07 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 74.099999999999994 110.861 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -36.11 83.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 75.430000000000007 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -71.92 -31.76 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.409999999999997 110.894 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -52.8 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 65.400000000000006 110.968 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.84 -32.51 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 52.439999999999998 111.07 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.88 -39.93 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.977 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -75.65 -30.44 59.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 75.129999999999995 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 62.329999999999998 111.09 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -82.91 -39.19 21.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 73.030000000000001 110.879 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.9 -51.5 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 63.240000000000002 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.28 -34.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.159 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.08 -35.36 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 53.009999999999998 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -22.3 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 72.239999999999995 110.924 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 63.51 105.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 71.430000000000007 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -38.14 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.119999999999997 110.844 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.06 87.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 73.319999999999993 112.472 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -53.64 28.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 74.439999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.26 -55.86 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.229999999999997 111.111 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -58.32 -52.34 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.049999999999997 111.122 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.98 41.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 64.430000000000007 112.496 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -54.98 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 70.299999999999997 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.4 ptm -61.02 -41.11 95.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.857 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.3 t -64.58 -52.61 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 71.340000000000003 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.29 94.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 70.219999999999999 112.465 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -46.11 87.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.340000000000003 112.501 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' MET . 92.4 t -64.37 -35.26 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 74.340000000000003 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 t -69.64 -56.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 111.166 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 33' ' ' ILE . 43.8 mm -56.0 -48.05 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 63.039999999999999 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.4 -58.91 5.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.530000000000001 111.101 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' VAL . 45.9 p -51.66 -52.83 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.423 . . . . 65.530000000000001 111.138 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.0 t -51.3 -51.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 111.176 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.639 HD11 HG22 ' A' ' 29' ' ' ILE . 24.4 mt -57.57 -46.93 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.129999999999995 111.132 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 30' ' ' ALA . 49.9 t -51.92 -54.91 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.329999999999998 111.11 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.71 -36.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.166 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -63.96 -41.7 97.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -67.89 -41.6 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 64.299999999999997 110.961 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 34' ' ' VAL . 23.6 t -57.12 -53.29 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 72.310000000000002 111.16 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -62.62 -35.07 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.420000000000002 110.865 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.07 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.230000000000004 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -81.85 -30.05 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.05 102.38 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.89 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.89 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.516 -0.234 . . . . 53.219999999999999 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.01 165.06 25.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 72.120000000000005 110.865 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -36.9 85.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.891 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -72.42 -32.43 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.020000000000003 110.871 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -52.04 63.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 61.219999999999999 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -62.07 -32.72 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.099 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.29 -41.51 84.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 63.219999999999999 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 -30.63 38.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.420000000000002 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.28 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 63.119999999999997 111.107 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -101.22 -46.8 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 70.420000000000002 110.867 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.78 -37.26 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 65.109999999999999 111.166 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.68 -40.41 2.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 64.329999999999998 112.521 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -22.83 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 73.209999999999994 110.85 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m120 63.52 104.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -39.67 13.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 71.209999999999994 110.968 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.44 87.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 53.420000000000002 112.428 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -54.68 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.752 0.311 . . . . 74.140000000000001 111.053 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.86 -57.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 64.109999999999999 111.103 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.568 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.8 mm -60.0 -52.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.104 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.91 -29.17 42.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 73.299999999999997 112.477 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -54.91 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 63.539999999999999 110.911 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.636 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.4 ptm -61.11 -41.48 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.329999999999998 110.88 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.5 t -64.8 -53.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.5 111.151 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.14 94.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 52.240000000000002 112.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.36 85.71 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.807 -0.711 . . . . 71.299999999999997 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 23' ' ' MET . 95.5 t -65.12 -35.71 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 64.420000000000002 111.16 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 24' ' ' VAL . 98.6 t -70.24 -57.04 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.064 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.648 HG22 HD11 ' B' ' 33' ' ' ILE . 43.6 mm -56.29 -48.03 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 111.101 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.23 -58.92 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 61.530000000000001 111.095 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' VAL . 46.5 p -51.56 -52.76 44.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 71.409999999999997 111.234 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 28' ' ' VAL . 96.3 t -51.39 -51.81 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 111.081 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.648 HD11 HG22 ' B' ' 29' ' ' ILE . 25.1 mt -57.31 -46.52 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.010000000000005 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.0 t -51.54 -56.98 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 72.219999999999999 111.139 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -57.72 -35.98 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.109999999999999 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -64.09 -41.86 97.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.450000000000003 111.089 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.83 -41.46 82.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.912 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 34' ' ' VAL . 24.3 t -57.38 -53.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.150000000000006 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -63.08 -34.03 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 75.400000000000006 110.852 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -39.17 91.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 73.540000000000006 110.861 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -81.73 -29.73 32.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.120000000000005 110.888 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 102.38 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.030000000000001 110.855 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 35.43 110.9 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.431 -0.268 . . . . 75.340000000000003 112.431 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -100.91 81.72 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 74.099999999999994 110.834 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.15 -28.73 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.430000000000007 110.862 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -68.9 -34.82 76.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 110.855 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.26 -55.46 31.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.400000000000006 110.963 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.13 -31.02 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 52.439999999999998 111.076 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.71 -30.99 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -74.27 -31.23 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.129999999999995 110.942 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.6 84.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 62.329999999999998 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.71 -28.62 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.030000000000001 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -46.61 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 63.240000000000002 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.45 -25.33 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 111.074 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.17 55.21 8.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 53.009999999999998 112.448 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.3 t -117.27 20.92 13.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 72.239999999999995 110.873 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -108.68 -26.71 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.430000000000007 110.913 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -37.07 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 61.119999999999997 110.878 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.27 -41.12 61.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 73.319999999999993 112.518 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.18 54.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 74.439999999999998 111.162 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt -55.04 -58.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 61.229999999999997 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.22 -39.93 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.049999999999997 111.123 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.92 -27.38 73.95 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 64.430000000000007 112.439 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.64 -42.67 58.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 70.299999999999997 110.901 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.5 ptp -71.14 -40.38 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.916 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.2 t -71.52 -51.47 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 71.340000000000003 111.055 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.86 -33.65 84.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 70.219999999999999 112.477 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.2 -52.13 19.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 74.340000000000003 112.507 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 95.1 t -56.35 -40.61 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 74.340000000000003 111.033 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.6 t -62.41 -57.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 111.132 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.9 -47.08 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 111.144 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.03 -53.46 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 61.530000000000001 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 m -61.36 -40.04 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.530000000000001 111.159 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 28' ' ' VAL . 92.8 t -53.72 -51.33 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.239999999999995 111.106 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' B' ' 33' ' ' ILE . 42.3 mm -62.44 -44.93 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 111.124 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.6 t -54.1 -54.67 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 71.329999999999998 111.167 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.26 -38.16 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.329999999999998 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.1 m -63.93 -38.99 93.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -36.31 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.1 t -63.7 -46.76 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 111.078 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.91 -35.27 78.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.420000000000002 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.31 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 71.230000000000004 110.911 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -28.66 38.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.120000000000005 110.923 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -81.88 89.81 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.129999999999995 110.95 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tttp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.911 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 N-CA-C 112.471 -0.251 . . . . 53.219999999999999 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -100.74 81.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 72.120000000000005 110.869 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.08 -28.7 69.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -69.0 -34.77 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 53.020000000000003 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.33 -55.57 30.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 61.219999999999999 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.07 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 75.25 111.103 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -68.66 -30.97 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.219999999999999 110.928 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.34 -31.4 62.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 71.420000000000002 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.4 84.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 63.119999999999997 111.118 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.69 -28.39 68.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.91 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -46.78 78.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.69 -25.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 65.109999999999999 111.066 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.87 54.91 8.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 64.329999999999998 112.527 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t -117.88 23.91 11.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 73.209999999999994 110.831 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -109.21 -26.75 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.129999999999995 110.895 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.27 63.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 71.209999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.72 -41.57 66.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 53.420000000000002 112.482 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -53.16 52.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.56 HG23 ' HE2' ' A' ' 23' ' ' MET . 74.7 mt -55.36 -58.69 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 64.109999999999999 111.15 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.506 ' O ' HG23 ' B' ' 24' ' ' VAL . 50.2 mm -55.36 -40.03 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 64.5 111.105 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.62 -22.77 75.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.299999999999997 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.584 ' O ' HD12 ' B' ' 22' ' ' LEU . 0.1 OUTLIER -81.26 -43.09 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 63.539999999999999 110.982 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.5 ptp -70.6 -40.97 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.89 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.662 ' O ' HG23 ' B' ' 28' ' ' VAL . 99.2 t -71.6 -50.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.5 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -33.59 83.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 52.240000000000002 112.462 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.69 -52.02 17.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 71.299999999999997 112.503 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' MET . 94.5 t -56.24 -40.16 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 64.420000000000002 111.075 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.748 ' O ' HG23 ' B' ' 32' ' ' VAL . 99.2 t -63.15 -58.08 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 72.25 111.18 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 35.4 mt -52.01 -47.12 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.209999999999994 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -52.21 -53.31 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.530000000000001 111.147 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -61.29 -40.08 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.409999999999997 111.17 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.0 t -53.9 -51.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 111.121 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 33' ' ' ILE . 42.1 mm -62.57 -44.91 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 74.010000000000005 111.151 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -54.11 -54.49 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 111.2 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.42 -38.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.109999999999999 111.113 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -63.85 -39.03 93.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 75.450000000000003 111.145 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -36.2 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.209999999999994 110.954 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 34' ' ' VAL . 96.0 t -63.66 -46.75 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 111.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.907 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -43.27 95.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.18 -28.59 38.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 71.120000000000005 110.854 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -81.94 89.71 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 72.030000000000001 110.981 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 35.43 110.87 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.492 -0.243 . . . . 75.340000000000003 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -135.92 82.5 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 74.099999999999994 110.852 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -30.33 67.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.430000000000007 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -37.31 83.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 71.409999999999997 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -57.47 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.881 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.17 -27.33 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 52.439999999999998 111.113 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.77 -33.68 61.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.64 -47.84 84.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.0 81.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 111.078 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.65 -26.69 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 73.030000000000001 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -54.01 -31.52 51.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.857 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.19 -31.47 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.409999999999997 111.105 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.17 43.93 93.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 53.009999999999998 112.517 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -119.29 -46.93 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 72.239999999999995 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 18' ' ' ALA . 1.8 p30 -52.35 123.11 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.430000000000007 110.846 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -36.12 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 61.119999999999997 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.6 -39.19 53.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.646 -0.788 . . . . 73.319999999999993 112.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -66.85 -52.33 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 74.439999999999998 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.1 -58.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 61.229999999999997 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -59.43 -51.01 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 73.049999999999997 111.077 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.58 -29.37 53.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.430000000000007 112.498 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.55 -54.18 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 70.299999999999997 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.634 ' CE ' HG23 ' B' ' 19' ' ' ILE . 19.2 ptp -62.78 -42.36 99.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.869 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.8 t -66.83 -52.9 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.26 56.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 70.219999999999999 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.03 -45.57 31.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 74.340000000000003 112.494 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' THR . 54.9 t -68.74 -34.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 74.340000000000003 111.149 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.0 t -69.05 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.109999999999999 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 33' ' ' ILE . 40.7 mm -55.61 -46.71 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 63.039999999999999 111.147 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.03 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.530000000000001 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' VAL . 42.3 p -53.33 -52.1 60.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 65.530000000000001 111.156 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.6 t -50.63 -51.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 111.094 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 29' ' ' ILE . 23.9 mt -57.25 -44.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.7 t -53.93 -54.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 71.329999999999998 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -58.92 -34.19 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.329999999999998 111.05 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -67.57 -45.77 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 64.400000000000006 111.103 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.22 -45.61 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 64.299999999999997 110.873 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.0 t -61.39 -39.85 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 111.131 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -69.87 -35.1 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 64.420000000000002 110.852 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -47.11 74.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.230000000000004 110.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -23.96 47.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.120000000000005 110.942 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -51.99 -58.28 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.129999999999995 110.889 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.230000000000004 110.869 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 53.219999999999999 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -135.87 82.56 1.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 72.120000000000005 110.872 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 74.310000000000002 110.918 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.46 84.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 53.020000000000003 110.944 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -57.89 11.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 61.219999999999999 110.922 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.67 -27.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.154 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -54.86 -33.34 61.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 63.219999999999999 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.47 -48.68 80.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.912 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.87 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 63.119999999999997 111.151 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.57 -26.46 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.843 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -53.72 -31.97 50.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.72 -33.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.109999999999999 111.131 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.54 44.37 85.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 64.329999999999998 112.493 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -118.71 -47.12 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 73.209999999999994 110.874 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.07 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -36.62 19.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 110.949 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.81 -41.41 58.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 53.420000000000002 112.467 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.3 -53.5 23.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 74.140000000000001 111.082 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.634 HG23 ' CE ' ' A' ' 23' ' ' MET . 51.5 mm -56.52 -58.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 64.109999999999999 111.072 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.508 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.7 mm -59.01 -51.12 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.138 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.14 -27.89 47.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 73.299999999999997 112.461 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.62 -54.96 6.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 63.539999999999999 110.895 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.7 ptp -61.85 -42.81 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.882 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.698 ' O ' HG23 ' B' ' 28' ' ' VAL . 90.1 t -64.44 -62.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 73.5 111.157 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.71 -27.62 28.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.503 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.96 22.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 71.299999999999997 112.517 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.48 ' O ' HG23 ' B' ' 31' ' ' THR . 0.7 OUTLIER -68.65 -25.36 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 64.420000000000002 111.102 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 24' ' ' VAL . 85.5 t -70.54 -60.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 33' ' ' ILE . 42.4 mm -56.66 -45.93 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.16 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.75 -59.68 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 61.530000000000001 111.116 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.6 p -51.6 -52.38 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 111.211 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 28' ' ' VAL . 99.3 t -50.61 -51.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.409999999999997 111.113 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.586 HD11 HG22 ' B' ' 29' ' ' ILE . 28.2 mt -59.22 -44.11 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.010000000000005 111.114 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.3 t -54.03 -56.48 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 111.157 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.75 -34.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 62.109999999999999 111.094 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -68.64 -46.5 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.450000000000003 111.123 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.99 -44.79 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 74.209999999999994 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 34' ' ' VAL . 95.4 t -60.39 -38.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.07 -33.78 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.874 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -47.28 73.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.859 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -24.51 44.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 71.120000000000005 110.906 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -51.98 -58.1 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.927 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 35.43 110.869 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.463 -0.255 . . . . 75.340000000000003 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -81.46 -50.01 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.099999999999994 110.832 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 -26.32 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.95 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -34.27 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 71.409999999999997 110.917 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -37.7 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 65.400000000000006 110.938 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -41.88 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 111.065 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.14 -35.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 110.81 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -40.23 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.63 71.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 62.329999999999998 111.048 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -26.67 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 73.030000000000001 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -76.08 -45.23 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 63.240000000000002 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.4 t -68.57 -69.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.44 40.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 53.009999999999998 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -112.3 -26.07 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 72.239999999999995 110.934 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.14 22.09 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 71.430000000000007 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -29.68 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.119999999999997 110.907 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.28 -45.01 58.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 73.319999999999993 112.493 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.94 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 74.439999999999998 111.106 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.83 -58.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 61.229999999999997 111.075 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -52.4 -48.55 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 73.049999999999997 111.136 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -26.96 65.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 64.430000000000007 112.492 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.46 -48.76 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 70.299999999999997 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' B' ' 22' ' ' LEU . 10.8 mtp -72.26 -52.56 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.866 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.0 t -62.04 -52.88 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.340000000000003 111.107 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.39 93.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 70.219999999999999 112.449 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.83 95.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 74.340000000000003 112.443 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.3 -35.9 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 74.340000000000003 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.5 t -69.1 -55.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 111.114 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mt -53.52 -50.06 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.041 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.18 -59.09 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 61.530000000000001 111.128 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.74 -51.75 53.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 65.530000000000001 111.151 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.9 t -50.43 -51.82 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.239999999999995 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.43 -52.42 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.129999999999995 111.203 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 30' ' ' ALA . 61.2 t -51.31 -55.04 9.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 71.329999999999998 111.106 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mt -56.15 -35.66 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.329999999999998 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -70.29 -45.1 66.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 64.400000000000006 111.157 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.56 -37.96 88.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 64.299999999999997 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.1 t -65.34 -52.21 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 72.310000000000002 111.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.7 ptm -66.98 -35.13 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 64.420000000000002 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.54 -43.96 92.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 71.230000000000004 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -26.08 41.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 71.120000000000005 110.861 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.78 149.19 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.129999999999995 110.947 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.230000000000004 110.901 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 53.219999999999999 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -81.64 -49.93 9.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 72.120000000000005 110.792 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.05 -26.17 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.876 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.1 77.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 53.020000000000003 110.911 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.17 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 61.219999999999999 110.875 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.74 -41.89 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.25 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.26 -34.81 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 63.219999999999999 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.67 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 71.420000000000002 110.897 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -39.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 63.119999999999997 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -26.28 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 70.420000000000002 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -75.62 -44.53 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.93 -71.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 65.109999999999999 111.12 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.449 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -111.5 -26.57 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 73.209999999999994 110.887 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.7 21.86 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.801 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -31.29 56.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.209999999999994 110.919 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.59 60.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.526 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.67 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 74.140000000000001 111.023 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.77 -59.15 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 64.109999999999999 111.168 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.15 -48.51 31.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 64.5 111.083 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.51 69.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 73.299999999999997 112.484 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 23' ' ' MET . 1.3 mt -70.96 -47.45 58.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 63.539999999999999 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -70.41 -60.11 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.329999999999998 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.716 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.7 t -58.76 -57.73 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -34.08 70.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.686 -0.768 . . . . 52.240000000000002 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.29 -48.62 81.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 71.299999999999997 112.476 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 31' ' ' THR . 0.3 OUTLIER -69.0 -26.98 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 64.420000000000002 111.113 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 24' ' ' VAL . 99.2 t -70.32 -57.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.25 111.168 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -47.93 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.209999999999994 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.681 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -53.86 -58.84 5.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 61.530000000000001 111.061 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.3 p -51.29 -51.5 53.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.409999999999997 111.117 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 28' ' ' VAL . 89.9 t -50.63 -54.16 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.409999999999997 111.117 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.58 -52.3 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 74.010000000000005 111.127 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.8 t -51.55 -57.78 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 111.153 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -53.27 -35.26 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 62.109999999999999 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -70.72 -45.23 65.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 75.450000000000003 111.167 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.28 -37.91 84.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 34' ' ' VAL . 92.4 t -64.62 -52.08 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.108 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.95 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 75.400000000000006 110.917 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.94 -44.1 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 73.540000000000006 110.867 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -26.19 40.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.120000000000005 110.921 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 149.21 22.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.030000000000001 110.926 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 35.43 110.9 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 75.340000000000003 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -108.37 -49.41 3.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 74.099999999999994 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.38 -26.44 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.430000000000007 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.64 -37.48 73.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.89 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -51.35 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 65.400000000000006 110.897 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.43 -34.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 52.439999999999998 111.083 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.33 -30.25 69.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 110.896 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -35.06 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.129999999999995 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -48.15 81.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 62.329999999999998 111.095 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.030000000000001 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.81 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 63.240000000000002 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -75.69 -61.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.23 21.61 40.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 53.009999999999998 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -56.22 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.907 0.384 . . . . 72.239999999999995 110.825 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.23 111.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 71.430000000000007 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.66 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 61.119999999999997 110.88 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.57 -35.23 51.19 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.762 -0.732 . . . . 73.319999999999993 112.521 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.35 -51.68 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 74.439999999999998 111.092 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG23 ' CE ' ' B' ' 23' ' ' MET . 65.2 mt -56.75 -58.4 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 61.229999999999997 111.184 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.6 mm -52.31 -51.3 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.049999999999997 111.143 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.05 -26.12 60.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 64.430000000000007 112.449 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.52 -49.17 27.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 70.299999999999997 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.9 mtp -72.44 -52.52 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.825 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.2 t -61.6 -47.51 93.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 111.135 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.86 -47.27 87.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.777 . . . . 70.219999999999999 112.453 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.13 -41.72 79.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 74.340000000000003 112.486 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' MET . 86.6 t -69.98 -50.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 74.340000000000003 111.179 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.4 t -58.57 -57.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 111.124 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.89 -48.94 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 63.039999999999999 111.149 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 61.530000000000001 111.104 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.27 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.530000000000001 111.107 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.9 t -57.12 -51.59 67.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' B' ' 33' ' ' ILE . 42.0 mm -60.77 -43.46 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 72.129999999999995 111.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.9 t -55.86 -54.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.129 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.58 -35.86 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.17 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -64.5 -41.22 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.400000000000006 111.131 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.56 -47.62 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 64.299999999999997 110.942 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.99 -43.7 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 111.112 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -44.06 89.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 64.420000000000002 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.32 -28.31 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.230000000000004 110.912 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -35.99 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 110.831 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.21 146.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 75.129999999999995 110.939 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 72.230000000000004 110.881 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 53.219999999999999 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -108.26 -49.42 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 72.120000000000005 110.896 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.42 -26.32 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.842 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.53 -37.44 73.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.020000000000003 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -51.48 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 61.219999999999999 110.941 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.55 -34.93 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -30.02 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.219999999999999 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -34.98 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 71.420000000000002 110.932 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.59 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 111.118 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.97 -34.06 75.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -52.54 -54.52 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.2 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.109999999999999 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.37 39.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 64.329999999999998 112.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.12 -56.15 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 73.209999999999994 110.838 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.38 110.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.129999999999995 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -36.94 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 71.209999999999994 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.77 -36.07 54.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 53.420000000000002 112.488 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.31 -52.45 22.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 74.140000000000001 111.096 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.68 -58.36 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 64.109999999999999 111.128 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -51.38 -51.78 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 64.5 111.138 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.32 -27.07 62.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.759 -0.734 . . . . 73.299999999999997 112.435 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.97 -46.81 56.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 63.539999999999999 110.935 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.593 ' O ' HG23 ' B' ' 27' ' ' VAL . 4.0 mtp -76.29 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 74.329999999999998 110.819 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.633 ' O ' HG23 ' B' ' 28' ' ' VAL . 65.3 t -59.48 -47.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.5 111.134 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.12 79.0 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.719 -0.753 . . . . 52.240000000000002 112.536 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.92 82.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 71.299999999999997 112.452 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 23' ' ' MET . 88.2 t -70.03 -50.7 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 64.420000000000002 111.098 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.8 t -58.44 -57.29 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.66 -49.09 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 111.158 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.737 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.82 -52.39 49.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.530000000000001 111.108 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.21 -38.21 85.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.409999999999997 111.154 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 91.6 t -56.87 -51.55 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 72.409999999999997 111.056 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 33' ' ' ILE . 41.3 mm -61.04 -43.53 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.010000000000005 111.195 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -56.18 -54.37 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.219999999999999 111.149 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.81 -36.1 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 62.109999999999999 111.104 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -64.7 -41.7 95.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.450000000000003 111.223 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.19 -46.81 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.209999999999994 110.898 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.150000000000006 111.101 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -44.07 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.400000000000006 110.9 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.89 -28.24 67.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 73.540000000000006 110.956 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -36.27 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 71.120000000000005 110.908 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.99 146.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 72.030000000000001 110.932 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.34 -0.391 . . . . 35.43 110.863 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.511 -0.236 . . . . 75.340000000000003 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 52.21 72.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 74.099999999999994 110.836 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -54.9 -30.08 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -36.8 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.409999999999997 110.89 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.05 -34.51 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -73.26 -33.95 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 52.439999999999998 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -33.73 71.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 75.420000000000002 110.846 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -47.55 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.129999999999995 110.853 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -38.26 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.062 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.61 -33.09 60.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 73.030000000000001 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.87 -49.35 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 63.240000000000002 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.3 t -82.73 -35.67 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 111.149 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.69 21.12 75.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 53.009999999999998 112.446 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 t -104.52 20.99 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 72.239999999999995 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.35 22.08 14.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 71.430000000000007 110.862 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -54.2 -35.76 62.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 61.119999999999997 110.91 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.2 -42.89 63.37 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 73.319999999999993 112.526 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.19 -46.18 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 74.439999999999998 111.115 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.9 mm -55.4 -56.5 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 61.229999999999997 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.48 -49.71 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.049999999999997 111.112 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.17 -23.3 63.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 64.430000000000007 112.478 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.4 -54.49 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.299999999999997 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.78 -40.44 72.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.946 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 28' ' ' VAL . 75.3 t -72.99 -52.62 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 71.340000000000003 111.146 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.81 74.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 70.219999999999999 112.506 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.23 -52.25 9.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.340000000000003 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 23' ' ' MET . 88.5 t -57.3 -36.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 74.340000000000003 111.11 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 32' ' ' VAL . 88.5 t -67.54 -54.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 111.076 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.93 -49.94 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 63.039999999999999 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.27 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 61.530000000000001 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.47 -51.6 53.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 65.530000000000001 111.187 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 28' ' ' VAL . 95.7 t -50.69 -51.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 111.057 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.88 -42.9 94.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 62.0 t -60.37 -55.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.329999999999998 111.107 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -55.18 -33.32 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.329999999999998 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -67.79 -53.64 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.400000000000006 111.163 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.3 -43.11 82.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 64.299999999999997 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.24 -29.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 111.119 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -68.02 -34.21 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 64.420000000000002 110.943 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.16 -33.18 14.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 71.230000000000004 110.972 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -83.0 -9.11 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 71.120000000000005 110.888 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.59 -169.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 75.129999999999995 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 pttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 72.230000000000004 110.894 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.431 -0.268 . . . . 53.219999999999999 112.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 52.17 72.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 72.120000000000005 110.849 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -55.02 -30.01 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 110.897 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.18 -36.86 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 53.020000000000003 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.01 -34.9 58.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 61.219999999999999 110.95 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.55 -33.96 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.139 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -33.4 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 63.219999999999999 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -47.97 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.420000000000002 110.839 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.71 -38.78 67.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 111.113 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.07 -32.68 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.941 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.32 -49.21 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.64 -36.8 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 65.109999999999999 111.127 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.65 21.61 76.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.761 -0.733 . . . . 64.329999999999998 112.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.4 t -104.06 24.04 12.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 73.209999999999994 110.833 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.71 21.71 14.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 110.881 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.209999999999994 110.836 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.87 -43.07 60.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 53.420000000000002 112.557 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.67 53.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 74.140000000000001 111.138 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.61 -57.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.109999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.04 -47.99 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.5 111.143 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -20.45 61.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.661 -0.781 . . . . 73.299999999999997 112.467 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -80.27 -53.88 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 63.539999999999999 110.965 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.609 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.94 -39.9 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.329999999999998 110.879 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.621 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.9 t -73.71 -51.64 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.167 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.42 -30.9 72.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 52.240000000000002 112.56 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.29 -52.83 7.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 71.299999999999997 112.461 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 23' ' ' MET . 89.6 t -56.52 -36.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 64.420000000000002 111.151 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.671 ' O ' HG23 ' B' ' 32' ' ' VAL . 84.7 t -68.1 -56.53 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.103 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.53 -49.28 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 111.151 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.699 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.21 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 61.530000000000001 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' VAL . 41.3 p -51.3 -51.58 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.409999999999997 111.147 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 28' ' ' VAL . 85.8 t -50.78 -54.91 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 111.187 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.99 -42.13 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.010000000000005 111.099 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 30' ' ' ALA . 68.0 t -61.36 -59.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 111.174 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.59 -30.84 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 62.109999999999999 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.56 HG23 ' C ' ' B' ' 41' ' ' LYS . 83.3 m -67.4 -57.21 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.450000000000003 111.072 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.47 -38.75 92.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.209999999999994 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 34' ' ' VAL . 84.5 t -61.57 -37.12 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.150000000000006 111.11 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mmm -83.62 -75.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 75.400000000000006 110.83 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.82 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.56 ' C ' HG23 ' B' ' 36' ' ' THR . 10.7 mmtt -117.15 -20.0 9.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 71.120000000000005 110.926 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.522 ' HA ' HG23 ' B' ' 36' ' ' THR . 0.1 OUTLIER -179.34 -169.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.893 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 pttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 35.43 110.902 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.529 -0.229 . . . . 75.340000000000003 112.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -93.13 154.88 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 74.099999999999994 110.855 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.76 73.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.430000000000007 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.96 -31.23 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.409999999999997 110.841 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.56 -31.82 73.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 65.400000000000006 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.12 -57.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 52.439999999999998 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.63 -25.69 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -72.11 -45.26 61.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.855 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.642 ' HB1' ' ND2' ' A' ' 15' ' ' ASN . . . -54.72 -51.49 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 62.329999999999998 111.097 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -29.07 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 110.924 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.69 -55.04 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 63.240000000000002 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.58 -47.87 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 111.108 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 19.98 65.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 53.009999999999998 112.533 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -120.98 20.94 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.239999999999995 110.861 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.642 ' ND2' ' HB1' ' A' ' 9' ' ' ALA . 20.1 p30 -81.35 -27.34 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.875 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -43.28 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 61.119999999999997 110.916 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.01 -35.19 90.36 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.801 -0.714 . . . . 73.319999999999993 112.432 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.74 -51.2 43.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 74.439999999999998 111.095 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.14 -58.47 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 61.229999999999997 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -55.31 -52.22 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.049999999999997 111.1 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -28.54 50.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 64.430000000000007 112.538 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.4 -53.33 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 70.299999999999997 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.6 ptm -64.33 -40.49 96.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.905 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 28' ' ' VAL . 99.1 t -68.45 -52.3 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 71.340000000000003 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.42 -34.98 91.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 70.219999999999999 112.463 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.36 80.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 74.340000000000003 112.497 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 23' ' ' MET . 89.6 t -64.19 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 74.340000000000003 111.079 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.8 t -64.32 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.109999999999999 111.118 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.63 -48.03 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.039999999999999 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.8 -53.08 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 61.530000000000001 111.097 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.37 -34.45 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.530000000000001 111.187 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 28' ' ' VAL . 47.7 t -61.95 -44.82 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 111.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' B' ' 33' ' ' ILE . 36.4 mm -70.8 -32.8 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 111.154 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.2 t -69.22 -54.98 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.329999999999998 111.103 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.29 -36.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.2 m -73.9 -37.17 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.400000000000006 111.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 ' HB2' HD12 ' B' ' 37' ' ' LEU . 5.3 tt -68.55 -40.45 80.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 92.0 t -66.62 -53.64 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.3 ptm -59.58 -35.02 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 64.420000000000002 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -25.95 61.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 71.230000000000004 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -96.84 -44.29 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.928 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -103.4 68.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.129999999999995 110.936 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.230000000000004 110.844 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 53.219999999999999 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -93.27 154.8 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 72.120000000000005 110.825 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.7 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 74.310000000000002 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.88 -31.04 48.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 53.020000000000003 110.868 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.38 -31.84 73.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 61.219999999999999 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.512 HG12 ' H ' ' B' ' 8' ' ' PHE . 47.3 t -85.02 -57.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.14 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 49.29 28.57 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 63.219999999999999 110.825 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.512 ' H ' HG12 ' B' ' 6' ' ' VAL . 92.4 t80 -72.46 -45.58 58.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 110.817 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.5 ' HB1' ' ND2' ' B' ' 15' ' ' ASN . . . -55.36 -51.56 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.119999999999997 111.096 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -28.74 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.420000000000002 110.893 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -55.44 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.819 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.96 -48.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.109999999999999 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 19.68 68.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 64.329999999999998 112.517 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -121.18 24.06 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 110.894 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ASN . . . . . 0.5 ' ND2' ' HB1' ' B' ' 9' ' ' ALA . 20.2 p30 -81.73 -27.9 33.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.938 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -43.4 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.16 -35.09 90.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 53.420000000000002 112.501 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.87 -52.05 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.140000000000001 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.84 -58.67 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 64.109999999999999 111.212 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.501 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.6 mm -55.48 -52.26 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.176 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.18 48.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.654 -0.784 . . . . 73.299999999999997 112.548 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.86 -53.46 10.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 63.539999999999999 110.955 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.64 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.6 ptm -64.14 -40.74 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.853 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.3 t -68.15 -52.2 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.163 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.05 91.56 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.742 . . . . 52.240000000000002 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.12 82.1 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.687 -0.768 . . . . 71.299999999999997 112.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 23' ' ' MET . 92.2 t -64.26 -38.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 64.420000000000002 111.127 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.4 t -64.12 -58.75 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.069 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.61 -48.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 72.209999999999994 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.91 -52.57 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 61.530000000000001 111.143 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.76 -34.66 73.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.409999999999997 111.124 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 28' ' ' VAL . 48.2 t -61.85 -45.21 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.409999999999997 111.073 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' A' ' 33' ' ' ILE . 36.3 mm -70.11 -32.09 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 111.162 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.7 t -69.48 -56.31 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 72.219999999999999 111.121 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -59.32 -35.58 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 62.109999999999999 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.4 m -75.18 -36.5 61.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.450000000000003 111.167 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 37' ' ' LEU . 4.8 tt -68.71 -40.47 79.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 74.209999999999994 110.962 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 34' ' ' VAL . 89.4 t -67.38 -54.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.143 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ptm -59.42 -33.88 71.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 75.400000000000006 110.841 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -26.33 62.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -96.8 -44.26 7.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 71.120000000000005 110.879 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -103.45 69.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 72.030000000000001 110.902 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 35.43 110.929 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.459 -0.256 . . . . 75.340000000000003 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.31 170.88 10.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 74.099999999999994 110.781 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.13 -32.39 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 75.430000000000007 110.954 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -67.17 -32.26 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -44.28 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 65.400000000000006 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -66.12 -38.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 52.439999999999998 111.151 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -25.65 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.41 -31.15 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 15' ' ' ASN . . . -54.41 -31.92 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 62.329999999999998 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -27.46 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.030000000000001 110.867 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -81.49 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.240000000000002 110.841 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -100.38 -69.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 74.409999999999997 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.09 44.17 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 53.009999999999998 112.467 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -56.22 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 72.239999999999995 110.91 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.416 HD21 ' HB2' ' A' ' 9' ' ' ALA . 6.9 m120 58.7 179.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 71.430000000000007 110.819 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.5 -35.47 77.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 61.119999999999997 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.06 -34.31 52.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 73.319999999999993 112.45 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.35 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 74.439999999999998 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.89 -54.08 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 61.229999999999997 111.153 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.35 -47.45 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 73.049999999999997 111.151 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -28.33 66.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.845 -0.693 . . . . 64.430000000000007 112.477 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.56 -50.3 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 70.299999999999997 110.864 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.639 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.8 ptm -67.25 -41.72 85.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.5 t -69.25 -52.42 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 71.340000000000003 111.144 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -32.51 84.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 70.219999999999999 112.478 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.87 -46.7 65.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 74.340000000000003 112.534 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 23' ' ' MET . 85.4 t -64.49 -40.71 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 74.340000000000003 111.165 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.0 t -63.59 -59.3 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.9 mt -51.87 -46.59 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.091 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.41 -57.93 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 61.530000000000001 111.146 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 m -55.69 -40.44 72.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 65.530000000000001 111.148 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 28' ' ' VAL . 59.1 t -54.68 -47.07 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.239999999999995 111.192 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' B' ' 33' ' ' ILE . 39.5 mm -71.07 -32.72 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 72.129999999999995 111.095 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 30' ' ' ALA . 54.2 t -67.03 -55.11 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 71.329999999999998 111.104 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.2 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.6 m -73.48 -37.07 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 64.400000000000006 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 37' ' ' LEU . 6.2 tt -65.83 -45.76 81.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 64.299999999999997 110.885 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.69 -30.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 111.137 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -38.01 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.864 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -42.86 95.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 71.230000000000004 110.925 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -79.51 -25.47 41.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.120000000000005 110.902 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 tttt 59.68 84.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.907 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.230000000000004 110.856 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 53.219999999999999 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.26 170.67 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 72.120000000000005 110.843 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.15 -32.95 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 74.310000000000002 110.897 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -68.07 -32.3 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 53.020000000000003 110.895 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -44.47 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 61.219999999999999 110.88 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.5 t -65.96 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.152 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 49.44 28.66 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 63.219999999999999 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.94 -31.36 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.8 -32.52 60.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 63.119999999999997 111.104 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -27.74 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 70.420000000000002 110.829 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -81.64 -55.16 4.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 t -100.39 -69.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 65.109999999999999 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 44.16 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 64.329999999999998 112.523 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.95 -56.04 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 73.209999999999994 110.871 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 m120 58.83 179.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 74.129999999999995 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.7 -35.19 77.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.209999999999994 110.917 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.63 -34.41 49.95 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 53.420000000000002 112.516 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.49 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.140000000000001 111.143 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -54.97 -53.74 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 64.109999999999999 111.121 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.515 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.9 mm -54.82 -47.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 64.5 111.188 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.24 -27.92 66.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 73.299999999999997 112.468 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.6 -50.24 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 63.539999999999999 110.919 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.631 ' O ' HG23 ' B' ' 27' ' ' VAL . 16.0 ptm -67.01 -41.74 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.659 ' O ' HG23 ' B' ' 28' ' ' VAL . 97.3 t -69.27 -52.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.5 111.166 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -32.56 84.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 52.240000000000002 112.546 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.88 63.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.808 -0.711 . . . . 71.299999999999997 112.436 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 23' ' ' MET . 86.6 t -64.45 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 64.420000000000002 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.3 t -63.13 -59.5 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.25 111.15 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.47 -47.51 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.747 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.39 -58.09 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.530000000000001 111.13 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -54.96 -41.21 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 71.409999999999997 111.137 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 28' ' ' VAL . 57.6 t -54.27 -48.33 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.409999999999997 111.09 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' A' ' 33' ' ' ILE . 39.2 mm -69.51 -30.96 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.010000000000005 111.171 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 30' ' ' ALA . 60.1 t -66.84 -57.6 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 72.219999999999999 111.169 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -35.41 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 62.109999999999999 111.134 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.9 m -72.93 -35.87 67.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 75.450000000000003 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.4 ' HB2' HD12 ' A' ' 37' ' ' LEU . 6.0 tt -67.17 -45.81 75.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.998 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -73.37 -29.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.150000000000006 111.177 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.57 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.400000000000006 110.894 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -42.69 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.540000000000006 110.941 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -79.59 -25.32 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 71.120000000000005 110.915 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 59.56 84.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.907 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 35.43 110.92 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.825 0.345 . . . . 74.1 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -50.11 73.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.93 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -52.78 -46.24 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.32 -31.27 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 65.4 110.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.44 -38.9 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 52.44 111.125 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.39 -38.3 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 75.42 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.03 -30.9 64.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.35 -31.64 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 62.33 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -35.36 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.884 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.78 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 63.24 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.58 -66.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.41 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.28 78.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 53.01 112.439 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 m -125.88 20.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 72.24 110.819 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -116.87 -45.72 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.907 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -51.89 -30.28 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.88 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.487 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.637 HG23 ' CE ' ' B' ' 23' ' ' MET . 47.1 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.847 0.355 . . . . 61.23 111.164 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 24' ' ' VAL . 43.6 mm -57.97 -49.59 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 73.05 111.128 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.55 -27.3 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 64.43 112.548 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.52 -49.46 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 70.3 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.3 ptp -69.85 -41.38 74.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.845 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 28' ' ' VAL . 97.1 t -68.46 -52.53 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.34 111.129 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.74 96.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 70.22 112.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.92 -49.43 75.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 74.34 112.463 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 93.7 t -62.54 -43.93 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 74.34 111.129 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.6 t -64.33 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.117 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.84 -45.29 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 63.04 111.11 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.91 -56.76 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.093 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -58.33 -41.93 85.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 65.53 111.107 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.8 t -51.75 -51.61 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.138 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 33' ' ' ILE . 45.3 mm -63.56 -35.97 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.104 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 30' ' ' ALA . 45.5 t -63.54 -54.64 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.33 111.098 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.81 -39.68 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.127 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 m -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.46 -43.82 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 64.3 110.901 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.8 t -60.76 -40.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -38.48 77.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.911 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.29 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.931 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.899 0.381 . . . . 72.12 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -49.12 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 74.31 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -51.98 -45.74 64.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 53.02 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -51.94 -32.16 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.934 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.99 -37.38 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.25 111.121 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -52.06 -35.23 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.22 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -54.37 -32.47 57.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.11 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 63.12 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -30.66 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -46.0 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.847 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.524 HG12 ' H ' ' B' ' 14' ' ' SER . 42.7 t -96.73 -70.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 65.11 111.157 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.07 73.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 64.33 112.491 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.524 ' H ' HG12 ' B' ' 12' ' ' VAL . 44.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.21 110.84 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.78 0.324 . . . . 63.54 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.637 ' CE ' HG23 ' A' ' 19' ' ' ILE . 19.6 ptp -69.95 -41.56 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.882 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.597 ' O ' HG23 ' B' ' 28' ' ' VAL . 98.1 t -68.41 -53.04 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.56 -41.41 97.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.24 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -49.53 75.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 71.3 112.468 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 23' ' ' MET . 92.8 t -62.76 -43.94 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 64.42 111.166 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 87.4 t -64.27 -61.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.12 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -52.33 -45.14 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.76 -57.13 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.53 111.13 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m -58.59 -41.95 86.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.098 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 93.1 t -51.68 -51.62 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' ILE . 45.8 mm -63.56 -36.09 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.01 111.142 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 45.8 t -63.47 -54.85 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.139 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.15 -39.79 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 62.11 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 59.7 m -63.84 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.14 -43.69 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.927 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 34' ' ' VAL . 97.3 t -60.81 -40.87 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.094 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.883 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.838 0.352 . . . . 74.1 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -29.24 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.918 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -34.93 55.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.968 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.4 110.93 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.92 -39.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 52.44 111.133 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.17 -38.23 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -41.39 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.843 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.2 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.33 111.146 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -78.22 -32.34 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -39.96 95.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.846 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -93.56 -65.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 74.41 111.093 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 32.73 20.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 53.01 112.461 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -108.43 -28.68 9.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 72.24 110.876 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.96 124.13 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.878 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.1 -41.4 68.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 61.12 110.889 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 73.32 112.548 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.349 . . . . 61.23 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -52.36 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.05 111.121 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.77 58.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 64.43 112.454 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.54 -49.53 25.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 70.3 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.1 mtp -72.32 -52.53 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.82 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 28' ' ' VAL . 60.0 t -60.6 -46.45 95.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -46.05 90.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.9 84.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 74.34 112.463 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' MET . 93.0 t -70.05 -47.97 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.34 111.071 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.2 t -60.7 -57.44 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.095 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.74 -48.92 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 63.04 111.165 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.71 -53.6 37.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.53 111.097 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -42.59 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 65.53 111.14 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.7 t -52.41 -51.55 32.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.193 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' B' ' 33' ' ' ILE . 40.7 mm -60.82 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 72.13 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ALA . 39.3 t -56.32 -51.68 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.33 111.167 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.86 -37.23 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 71.33 111.152 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -41.73 98.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.4 111.189 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -66.7 -45.5 78.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 64.3 110.921 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.69 -36.93 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.31 111.168 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -38.1 78.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 64.42 110.853 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.89 -26.08 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 71.23 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 37' ' ' LEU . 3.1 mmmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.867 0.365 . . . . 72.12 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.67 -29.11 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -34.75 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 53.02 110.949 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.54 99.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 61.22 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.95 -39.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.178 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.23 -38.04 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 63.22 110.874 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -41.07 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 71.42 110.889 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.53 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 63.12 111.062 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -78.49 -32.47 48.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 70.42 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -39.59 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.894 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.9 t -93.1 -65.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 65.11 111.063 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.92 33.49 18.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.721 -0.752 . . . . 64.33 112.484 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 73.21 110.777 -179.706 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 63.54 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.459 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.9 mtp -76.18 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.906 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.651 ' O ' HG23 ' B' ' 28' ' ' VAL . 59.8 t -59.02 -46.02 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.094 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -46.16 89.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 52.24 112.45 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.61 84.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.487 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 23' ' ' MET . 89.8 t -69.79 -47.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 64.42 111.141 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.9 t -60.47 -57.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.25 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.62 -49.15 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.21 111.164 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.74 -53.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 61.53 111.117 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 20.8 m -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.145 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.9 t -52.33 -51.62 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 72.41 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -60.75 -44.19 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.01 111.086 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 39.8 t -56.32 -51.53 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.7 mt -60.56 -37.11 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 62.11 111.156 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -63.48 -41.85 98.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.125 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.78 -45.63 77.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.954 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.65 -37.03 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.15 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 75.4 110.885 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.84 0.353 . . . . 74.1 110.869 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.899 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.27 -39.9 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 71.41 110.92 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -53.14 52.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 65.4 110.946 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.93 -37.7 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 52.44 111.165 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -34.18 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.02 -42.71 97.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.83 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 62.33 111.082 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -35.12 60.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 73.03 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.92 -29.95 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 63.24 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -99.46 -56.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.142 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.32 -42.59 2.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 53.01 112.489 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.0 m -106.83 21.09 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 72.24 110.907 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -61.99 -26.43 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 71.43 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.39 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.927 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.32 112.447 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 61.23 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -51.01 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.05 111.069 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.29 -26.12 61.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.464 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.62 -49.21 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 70.3 110.846 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.0 mtp -72.35 -52.51 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.8 t -61.78 -50.81 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.143 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.9 -47.02 92.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 70.22 112.536 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.68 -42.1 76.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 74.34 112.484 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' MET . 97.0 t -70.23 -41.76 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 74.34 111.152 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.7 t -64.7 -59.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.124 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.6 -48.69 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 63.04 111.055 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.67 -52.43 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 61.53 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -62.02 -42.52 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 65.53 111.138 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.0 t -51.73 -51.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.153 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' B' ' 33' ' ' ILE . 40.8 mm -61.5 -47.5 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.13 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 30' ' ' ALA . 47.7 t -52.3 -54.79 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.33 111.078 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.25 -34.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 71.33 111.146 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.69 -41.82 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 64.4 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -66.91 -50.81 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 64.3 110.934 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -57.9 -43.66 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.173 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 mmm -64.73 -40.24 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.42 110.974 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 40' ' ' LEU . 10.9 tp -60.97 -36.2 78.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 71.23 110.885 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.875 179.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.341 . . . . 72.12 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.97 -33.04 70.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.31 -40.26 77.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 53.02 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -53.03 56.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 61.22 110.9 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.86 -37.55 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.114 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -34.6 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 63.22 110.929 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.49 -43.21 94.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.42 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.07 75.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 63.12 111.085 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -34.66 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.42 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -55.49 -30.91 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.924 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.47 -56.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.11 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.97 -44.46 2.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 64.33 112.51 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 73.21 110.889 -179.831 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.33 . . . . 63.54 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.51 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.5 mtp -75.5 -59.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.686 ' O ' HG23 ' B' ' 28' ' ' VAL . 58.0 t -59.71 -49.43 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.11 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -47.5 89.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 52.24 112.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.05 -41.97 70.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.532 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 23' ' ' MET . 93.2 t -69.87 -41.73 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 64.42 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.3 t -64.58 -58.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.151 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -51.51 -48.84 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 72.21 111.118 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.733 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.65 -52.29 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.53 111.08 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.3 m -62.14 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.174 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 28' ' ' VAL . 98.5 t -51.62 -51.93 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 72.41 111.142 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -61.29 -48.13 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.095 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 30' ' ' ALA . 47.6 t -52.67 -54.79 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.22 111.192 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.4 -34.68 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 62.11 111.102 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.27 -42.21 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 75.45 111.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.19 -51.05 58.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.21 110.889 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 34' ' ' VAL . 21.8 t -58.03 -43.4 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.18 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 30.1 mmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.4 110.869 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 74.1 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -39.17 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.52 -34.46 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.76 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 65.4 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.54 -30.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 52.44 111.127 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.67 -27.82 63.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.516 ' O ' HG12 ' A' ' 12' ' ' VAL . 13.4 t80 -72.28 -52.12 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.892 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.44 -38.18 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 62.33 111.145 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -27.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.28 -54.0 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' PHE . 7.7 p -73.51 -28.52 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.08 45.56 87.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 53.01 112.484 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.03 -56.3 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 72.24 110.873 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -52.09 134.49 32.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.85 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.32 -31.86 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 61.12 110.919 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.455 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' CE ' ' B' ' 23' ' ' MET . 49.6 mm . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.813 0.34 . . . . 61.23 111.205 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -56.42 -52.13 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.153 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.24 -29.58 45.8 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 64.43 112.408 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.41 -54.33 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 70.3 110.914 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.4 ptp -62.05 -40.24 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.871 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 28' ' ' VAL . 93.0 t -66.67 -52.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.34 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.92 92.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -44.93 97.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 74.34 112.444 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 87.1 t -67.18 -44.17 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 74.34 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.1 t -63.29 -60.78 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.03 -46.07 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.04 111.168 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.82 -55.54 19.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.53 111.15 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -59.83 -42.47 93.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 65.53 111.167 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.0 t -51.97 -51.22 30.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.24 111.143 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' B' ' 33' ' ' ILE . 44.3 mm -62.11 -41.0 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.11 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 30' ' ' ALA . 43.7 t -58.01 -53.44 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.33 111.104 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.97 -38.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.33 111.178 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.1 m -62.94 -46.87 85.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.4 111.195 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.34 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.3 110.972 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -58.86 -45.49 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.31 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -53.86 -44.6 70.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 64.42 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -36.32 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 71.23 110.883 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.12 110.928 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.879 0.371 . . . . 72.12 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.15 80.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.954 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.57 -34.48 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 53.02 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -51.84 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.22 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.49 -30.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.25 111.142 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.47 -27.87 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . 0.506 ' O ' HG12 ' B' ' 12' ' ' VAL . 13.4 t80 -72.25 -52.24 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 71.42 110.931 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 -38.3 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 63.12 111.121 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.55 -27.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.82 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.17 -54.05 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 8' ' ' PHE . 7.7 p -73.53 -28.76 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 65.11 111.13 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.76 45.54 85.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 64.33 112.528 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 73.21 110.785 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.845 0.355 . . . . 63.54 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.632 ' O ' HG23 ' B' ' 27' ' ' VAL . 20.4 ptp -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.835 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.614 ' O ' HG23 ' B' ' 28' ' ' VAL . 94.7 t -66.68 -52.78 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.0 -43.62 93.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 52.24 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.05 97.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 71.3 112.441 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 23' ' ' MET . 91.3 t -67.2 -44.44 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 64.42 111.158 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.727 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.6 t -63.15 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.156 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.86 -46.21 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.21 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.743 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.84 -55.68 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 61.53 111.107 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 m -59.7 -42.58 93.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.105 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 28' ' ' VAL . 86.1 t -52.0 -51.3 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.129 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' A' ' 33' ' ' ILE . 44.4 mm -61.89 -40.86 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.113 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 30' ' ' ALA . 42.2 t -58.39 -53.31 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.96 -38.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 62.11 111.089 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -46.72 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.15 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.26 -46.88 88.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.929 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 34' ' ' VAL . 23.0 t -56.47 -40.99 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.15 111.107 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.5 ttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 75.4 110.833 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.808 0.337 . . . . 74.1 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -36.11 83.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -71.92 -31.76 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -52.8 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 65.4 110.968 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.84 -32.51 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 52.44 111.07 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.88 -39.93 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.977 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -75.65 -30.44 59.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 75.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB1' HD22 ' A' ' 15' ' ' ASN . . . -51.25 -34.21 31.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.09 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -82.91 -39.19 21.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 73.03 110.879 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.9 -51.5 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 63.24 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.28 -34.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.159 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.08 -35.36 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 53.01 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -22.3 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 72.24 110.924 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.658 HD22 ' HB1' ' A' ' 9' ' ' ALA . 2.2 m120 63.51 105.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 71.43 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -38.14 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.12 110.844 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 73.32 112.472 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.4 mm . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.803 0.335 . . . . 61.23 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -58.32 -52.34 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.05 111.122 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.98 41.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 64.43 112.496 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -54.98 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 70.3 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.4 ptm -61.02 -41.11 95.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.857 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.3 t -64.58 -52.61 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 71.34 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.29 94.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 70.22 112.465 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -46.11 87.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.34 112.501 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' MET . 92.4 t -64.37 -35.26 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 74.34 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 t -69.64 -56.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.166 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 33' ' ' ILE . 43.8 mm -56.0 -48.05 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 63.04 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.4 -58.91 5.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.53 111.101 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' VAL . 45.9 p -51.66 -52.83 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.423 . . . . 65.53 111.138 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.0 t -51.3 -51.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.176 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.639 HD11 HG22 ' A' ' 29' ' ' ILE . 24.4 mt -57.57 -46.93 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.13 111.132 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 30' ' ' ALA . 49.9 t -51.92 -54.91 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.33 111.11 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.71 -36.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.166 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -63.96 -41.7 97.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -67.89 -41.6 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.961 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 34' ' ' VAL . 23.6 t -57.12 -53.29 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 72.31 111.16 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -62.62 -35.07 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.42 110.865 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.07 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.874 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 72.12 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -36.9 85.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.891 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -72.42 -32.43 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.02 110.871 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -52.04 63.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 61.22 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -62.07 -32.72 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.099 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.29 -41.51 84.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 63.22 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 -30.63 38.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.28 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 63.12 111.107 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -101.22 -46.8 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 70.42 110.867 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.78 -37.26 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 65.11 111.166 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.68 -40.41 2.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 64.33 112.521 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 73.21 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.8 0.333 . . . . 63.54 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.636 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.4 ptm -61.11 -41.48 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.88 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.5 t -64.8 -53.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.5 111.151 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.14 94.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 52.24 112.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.36 85.71 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 23' ' ' MET . 95.5 t -65.12 -35.71 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 64.42 111.16 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 24' ' ' VAL . 98.6 t -70.24 -57.04 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.064 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.648 HG22 HD11 ' B' ' 33' ' ' ILE . 43.6 mm -56.29 -48.03 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.101 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.23 -58.92 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 61.53 111.095 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' VAL . 46.5 p -51.56 -52.76 44.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 71.41 111.234 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 28' ' ' VAL . 96.3 t -51.39 -51.81 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.41 111.081 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.648 HD11 HG22 ' B' ' 29' ' ' ILE . 25.1 mt -57.31 -46.52 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.01 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.0 t -51.54 -56.98 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.139 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -57.72 -35.98 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.11 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -64.09 -41.86 97.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.45 111.089 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.83 -41.46 82.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.912 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 34' ' ' VAL . 24.3 t -57.38 -53.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.15 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 75.4 110.852 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.812 0.339 . . . . 74.1 110.834 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.15 -28.73 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.43 110.862 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -68.9 -34.82 76.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.41 110.855 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.26 -55.46 31.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.4 110.963 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.13 -31.02 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 52.44 111.076 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.71 -30.99 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -74.27 -31.23 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.942 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.6 84.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 62.33 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.71 -28.62 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -46.61 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 63.24 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.45 -25.33 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.074 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.17 55.21 8.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 53.01 112.448 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.3 t -117.27 20.92 13.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 72.24 110.873 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -108.68 -26.71 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.913 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -37.07 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 61.12 110.878 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 73.32 112.518 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.899 0.381 . . . . 61.23 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.22 -39.93 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.05 111.123 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.92 -27.38 73.95 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 64.43 112.439 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.64 -42.67 58.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 70.3 110.901 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.5 ptp -71.14 -40.38 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.2 t -71.52 -51.47 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 71.34 111.055 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.86 -33.65 84.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 70.22 112.477 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.2 -52.13 19.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 74.34 112.507 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 95.1 t -56.35 -40.61 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 74.34 111.033 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.6 t -62.41 -57.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.132 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.9 -47.08 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 63.04 111.144 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.03 -53.46 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 61.53 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 m -61.36 -40.04 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.53 111.159 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 28' ' ' VAL . 92.8 t -53.72 -51.33 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.106 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' B' ' 33' ' ' ILE . 42.3 mm -62.44 -44.93 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.124 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.6 t -54.1 -54.67 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 71.33 111.167 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.26 -38.16 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.33 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.1 m -63.93 -38.99 93.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.4 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -36.31 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 64.3 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.1 t -63.7 -46.76 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 72.31 111.078 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.91 -35.27 78.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.42 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.31 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 71.23 110.911 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.12 110.923 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 72.12 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.08 -28.7 69.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -69.0 -34.77 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 53.02 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.33 -55.57 30.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 61.22 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.07 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 75.25 111.103 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -68.66 -30.97 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.22 110.928 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.34 -31.4 62.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.4 84.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 63.12 111.118 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.69 -28.39 68.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.91 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -46.78 78.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.69 -25.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 65.11 111.066 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.87 54.91 8.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 64.33 112.527 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 73.21 110.831 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.584 ' O ' HD12 ' B' ' 22' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.918 0.39 . . . . 63.54 110.982 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.5 ptp -70.6 -40.97 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.89 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.662 ' O ' HG23 ' B' ' 28' ' ' VAL . 99.2 t -71.6 -50.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.5 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -33.59 83.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 52.24 112.462 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.69 -52.02 17.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 71.3 112.503 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' MET . 94.5 t -56.24 -40.16 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 64.42 111.075 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.748 ' O ' HG23 ' B' ' 32' ' ' VAL . 99.2 t -63.15 -58.08 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 72.25 111.18 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 35.4 mt -52.01 -47.12 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.21 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -52.21 -53.31 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.147 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -61.29 -40.08 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.17 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.0 t -53.9 -51.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.121 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 33' ' ' ILE . 42.1 mm -62.57 -44.91 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 74.01 111.151 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -54.11 -54.49 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.22 111.2 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.42 -38.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.11 111.113 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -63.85 -39.03 93.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 75.45 111.145 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -36.2 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.954 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 34' ' ' VAL . 96.0 t -63.66 -46.75 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.15 111.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.907 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.849 0.357 . . . . 74.1 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -30.33 67.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.43 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -37.31 83.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 71.41 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -57.47 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 65.4 110.881 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.17 -27.33 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 52.44 111.113 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.77 -33.68 61.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.64 -47.84 84.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.0 81.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.33 111.078 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.65 -26.69 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 73.03 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -54.01 -31.52 51.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 63.24 110.857 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.19 -31.47 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.41 111.105 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.17 43.93 93.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 53.01 112.517 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -119.29 -46.93 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 72.24 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.35 123.11 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -36.12 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 61.12 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.646 -0.788 . . . . 73.32 112.459 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.834 0.35 . . . . 61.23 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -59.43 -51.01 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 73.05 111.077 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.58 -29.37 53.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.43 112.498 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.55 -54.18 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 70.3 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.2 ptp -62.78 -42.36 99.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.869 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.8 t -66.83 -52.9 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.26 56.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 70.22 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.03 -45.57 31.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 74.34 112.494 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' THR . 54.9 t -68.74 -34.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 74.34 111.149 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.0 t -69.05 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 33' ' ' ILE . 40.7 mm -55.61 -46.71 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 63.04 111.147 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.03 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.53 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' VAL . 42.3 p -53.33 -52.1 60.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 65.53 111.156 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.6 t -50.63 -51.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.24 111.094 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 29' ' ' ILE . 23.9 mt -57.25 -44.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.7 t -53.93 -54.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 71.33 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -58.92 -34.19 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.05 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -67.57 -45.77 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 64.4 111.103 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.22 -45.61 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 64.3 110.873 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.0 t -61.39 -39.85 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.31 111.131 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -69.87 -35.1 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 64.42 110.852 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -47.11 74.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.23 110.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.942 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.896 0.379 . . . . 72.12 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 74.31 110.918 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.46 84.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 53.02 110.944 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -57.89 11.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 61.22 110.922 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.67 -27.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.154 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -54.86 -33.34 61.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.47 -48.68 80.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.912 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.87 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 63.12 111.151 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.57 -26.46 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.843 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -53.72 -31.97 50.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.72 -33.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.11 111.131 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.54 44.37 85.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.493 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 73.21 110.874 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 63.54 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.7 ptp -61.85 -42.81 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.882 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.698 ' O ' HG23 ' B' ' 28' ' ' VAL . 90.1 t -64.44 -62.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 73.5 111.157 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.71 -27.62 28.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 52.24 112.503 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.96 22.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 71.3 112.517 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.48 ' O ' HG23 ' B' ' 31' ' ' THR . 0.7 OUTLIER -68.65 -25.36 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 64.42 111.102 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 24' ' ' VAL . 85.5 t -70.54 -60.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 33' ' ' ILE . 42.4 mm -56.66 -45.93 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.16 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.75 -59.68 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 61.53 111.116 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.6 p -51.6 -52.38 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.211 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 28' ' ' VAL . 99.3 t -50.61 -51.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.41 111.113 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.586 HD11 HG22 ' B' ' 29' ' ' ILE . 28.2 mt -59.22 -44.11 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.01 111.114 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.3 t -54.03 -56.48 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.22 111.157 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.75 -34.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 62.11 111.094 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -68.64 -46.5 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.45 111.123 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.99 -44.79 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 74.21 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 34' ' ' VAL . 95.4 t -60.39 -38.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.874 179.883 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 74.1 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 -26.32 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.95 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -34.27 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.917 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -37.7 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 65.4 110.938 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -41.88 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 52.44 111.065 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.14 -35.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.81 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -40.23 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.63 71.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 62.33 111.048 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -26.67 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 73.03 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -76.08 -45.23 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 63.24 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.4 t -68.57 -69.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.44 40.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 53.01 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -112.3 -26.07 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 72.24 110.934 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.14 22.09 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 71.43 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -29.68 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.12 110.907 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 73.32 112.493 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.785 0.326 . . . . 61.23 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -52.4 -48.55 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 73.05 111.136 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -26.96 65.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 64.43 112.492 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.46 -48.76 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 70.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.26 -52.56 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.0 t -62.04 -52.88 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.34 111.107 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.39 93.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 70.22 112.449 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.83 95.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.443 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.3 -35.9 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 74.34 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.5 t -69.1 -55.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.114 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mt -53.52 -50.06 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.041 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.18 -59.09 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.128 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.74 -51.75 53.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 65.53 111.151 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.9 t -50.43 -51.82 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.24 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.43 -52.42 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.13 111.203 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 30' ' ' ALA . 61.2 t -51.31 -55.04 9.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 71.33 111.106 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mt -56.15 -35.66 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.33 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -70.29 -45.1 66.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.157 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.56 -37.96 88.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 64.3 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.1 t -65.34 -52.21 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 72.31 111.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.7 ptm -66.98 -35.13 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 64.42 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.54 -43.96 92.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 71.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.861 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.737 0.304 . . . . 72.12 110.792 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.05 -26.17 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.1 77.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 53.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.17 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.875 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.74 -41.89 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.25 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.26 -34.81 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.67 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 71.42 110.897 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -39.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 63.12 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -26.28 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 70.42 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -75.62 -44.53 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.93 -71.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 65.11 111.12 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.449 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 73.21 110.887 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.791 0.329 . . . . 63.54 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -70.41 -60.11 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.716 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.7 t -58.76 -57.73 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -34.08 70.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.686 -0.768 . . . . 52.24 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.29 -48.62 81.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 71.3 112.476 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 31' ' ' THR . 0.3 OUTLIER -69.0 -26.98 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 64.42 111.113 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 24' ' ' VAL . 99.2 t -70.32 -57.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.25 111.168 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -47.93 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.21 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.681 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -53.86 -58.84 5.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 61.53 111.061 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.3 p -51.29 -51.5 53.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.117 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 28' ' ' VAL . 89.9 t -50.63 -54.16 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.41 111.117 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.58 -52.3 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 74.01 111.127 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.8 t -51.55 -57.78 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.153 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -53.27 -35.26 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 62.11 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -70.72 -45.23 65.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 75.45 111.167 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.28 -37.91 84.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 34' ' ' VAL . 92.4 t -64.62 -52.08 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.108 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.917 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 74.1 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.38 -26.44 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.64 -37.48 73.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.89 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -51.35 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 65.4 110.897 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.43 -34.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 52.44 111.083 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.33 -30.25 69.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.896 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -35.06 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -48.15 81.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 62.33 111.095 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.03 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.81 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 63.24 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -75.69 -61.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.23 21.61 40.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 53.01 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -56.22 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.907 0.384 . . . . 72.24 110.825 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.23 111.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.66 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 61.12 110.88 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.762 -0.732 . . . . 73.32 112.521 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.445 HG23 ' CE ' ' B' ' 23' ' ' MET . 65.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.832 0.349 . . . . 61.23 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.6 mm -52.31 -51.3 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.143 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.05 -26.12 60.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 64.43 112.449 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.52 -49.17 27.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 70.3 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.9 mtp -72.44 -52.52 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.825 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.2 t -61.6 -47.51 93.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.135 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.86 -47.27 87.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.777 . . . . 70.22 112.453 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.13 -41.72 79.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 74.34 112.486 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' MET . 86.6 t -69.98 -50.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 74.34 111.179 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.4 t -58.57 -57.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.124 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.89 -48.94 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 63.04 111.149 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 61.53 111.104 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.27 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.53 111.107 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.9 t -57.12 -51.59 67.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' B' ' 33' ' ' ILE . 42.0 mm -60.77 -43.46 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 72.13 111.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.9 t -55.86 -54.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 71.33 111.129 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.58 -35.86 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.33 111.17 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -64.5 -41.22 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.131 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.56 -47.62 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.942 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.99 -43.7 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.112 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -44.06 89.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 64.42 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.32 -28.31 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.23 110.912 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.831 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 72.12 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.42 -26.32 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.53 -37.44 73.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.02 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -51.48 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 61.22 110.941 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.55 -34.93 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -30.02 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.22 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -34.98 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.932 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.59 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.12 111.118 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.97 -34.06 75.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -52.54 -54.52 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.2 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.11 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.37 39.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 73.21 110.838 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.778 0.323 . . . . 63.54 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.593 ' O ' HG23 ' B' ' 27' ' ' VAL . 4.0 mtp -76.29 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.819 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.633 ' O ' HG23 ' B' ' 28' ' ' VAL . 65.3 t -59.48 -47.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.5 111.134 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.12 79.0 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.719 -0.753 . . . . 52.24 112.536 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.92 82.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 71.3 112.452 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 23' ' ' MET . 88.2 t -70.03 -50.7 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 64.42 111.098 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.8 t -58.44 -57.29 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.66 -49.09 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.158 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.737 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.82 -52.39 49.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.108 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.21 -38.21 85.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.154 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 91.6 t -56.87 -51.55 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.056 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 33' ' ' ILE . 41.3 mm -61.04 -43.53 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.01 111.195 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -56.18 -54.37 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.22 111.149 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.81 -36.1 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 62.11 111.104 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -64.7 -41.7 95.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.223 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.19 -46.81 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.898 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.15 111.101 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.9 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 74.1 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -54.9 -30.08 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -36.8 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.41 110.89 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.05 -34.51 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 65.4 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -73.26 -33.95 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 52.44 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -33.73 71.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -47.55 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.853 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -38.26 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.062 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.61 -33.09 60.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.87 -49.35 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 63.24 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.3 t -82.73 -35.67 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.149 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.69 21.12 75.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 53.01 112.446 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 t -104.52 20.99 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 72.24 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.35 22.08 14.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 71.43 110.862 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -54.2 -35.76 62.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 61.12 110.91 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 73.32 112.526 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 61.23 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.48 -49.71 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.05 111.112 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.17 -23.3 63.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 64.43 112.478 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.4 -54.49 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.3 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.78 -40.44 72.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.946 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 28' ' ' VAL . 75.3 t -72.99 -52.62 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 71.34 111.146 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.81 74.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 70.22 112.506 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.23 -52.25 9.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 23' ' ' MET . 88.5 t -57.3 -36.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 74.34 111.11 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 32' ' ' VAL . 88.5 t -67.54 -54.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.076 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.93 -49.94 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 63.04 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.27 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 61.53 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.47 -51.6 53.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.187 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 28' ' ' VAL . 95.7 t -50.69 -51.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.057 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.88 -42.9 94.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 62.0 t -60.37 -55.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.33 111.107 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -55.18 -33.32 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.33 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -67.79 -53.64 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.4 111.163 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.3 -43.11 82.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 64.3 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.24 -29.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 72.31 111.119 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -68.02 -34.21 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.943 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.16 -33.18 14.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 71.23 110.972 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.888 179.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.886 0.374 . . . . 72.12 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -55.02 -30.01 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.897 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.18 -36.86 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 53.02 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.01 -34.9 58.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 61.22 110.95 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.55 -33.96 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.139 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -33.4 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -47.97 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.42 110.839 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.71 -38.78 67.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.12 111.113 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.07 -32.68 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.941 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.32 -49.21 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.64 -36.8 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 65.11 111.127 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.65 21.61 76.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.761 -0.733 . . . . 64.33 112.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 73.21 110.833 -179.763 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 63.54 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.609 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.94 -39.9 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.879 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.621 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.9 t -73.71 -51.64 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.167 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.42 -30.9 72.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 52.24 112.56 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.29 -52.83 7.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 71.3 112.461 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 23' ' ' MET . 89.6 t -56.52 -36.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 64.42 111.151 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.671 ' O ' HG23 ' B' ' 32' ' ' VAL . 84.7 t -68.1 -56.53 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.103 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.53 -49.28 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.21 111.151 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.699 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.21 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 61.53 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' VAL . 41.3 p -51.3 -51.58 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.147 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 28' ' ' VAL . 85.8 t -50.78 -54.91 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.187 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.99 -42.13 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.099 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 30' ' ' ALA . 68.0 t -61.36 -59.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.174 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.59 -30.84 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 62.11 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 83.3 m -67.4 -57.21 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.072 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.47 -38.75 92.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 34' ' ' VAL . 84.5 t -61.57 -37.12 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.15 111.11 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.83 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.837 0.351 . . . . 74.1 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.76 73.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.96 -31.23 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.41 110.841 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.56 -31.82 73.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 65.4 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.12 -57.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 52.44 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.63 -25.69 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -72.11 -45.26 61.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.855 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.642 ' HB1' ' ND2' ' A' ' 15' ' ' ASN . . . -54.72 -51.49 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 62.33 111.097 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -29.07 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.924 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.69 -55.04 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.58 -47.87 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.41 111.108 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 19.98 65.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 53.01 112.533 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -120.98 20.94 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.861 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.642 ' ND2' ' HB1' ' A' ' 9' ' ' ALA . 20.1 p30 -81.35 -27.34 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.875 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -43.28 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 61.12 110.916 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.801 -0.714 . . . . 73.32 112.432 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 61.23 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -55.31 -52.22 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.05 111.1 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -28.54 50.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 64.43 112.538 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.4 -53.33 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 70.3 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.6 ptm -64.33 -40.49 96.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.905 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 28' ' ' VAL . 99.1 t -68.45 -52.3 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.42 -34.98 91.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 70.22 112.463 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.36 80.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 74.34 112.497 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 23' ' ' MET . 89.6 t -64.19 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 74.34 111.079 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.8 t -64.32 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.11 111.118 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.63 -48.03 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.04 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.8 -53.08 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 61.53 111.097 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.37 -34.45 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.53 111.187 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 28' ' ' VAL . 47.7 t -61.95 -44.82 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' B' ' 33' ' ' ILE . 36.4 mm -70.8 -32.8 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.13 111.154 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.2 t -69.22 -54.98 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.33 111.103 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.29 -36.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.33 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.2 m -73.9 -37.17 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.717 ' HB2' HD12 ' B' ' 37' ' ' LEU . 5.3 tt -68.55 -40.45 80.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 92.0 t -66.62 -53.64 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.3 ptm -59.58 -35.02 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -25.95 61.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 71.23 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.928 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 72.12 110.825 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.7 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.88 -31.04 48.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 53.02 110.868 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.38 -31.84 73.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 61.22 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.512 HG12 ' H ' ' B' ' 8' ' ' PHE . 47.3 t -85.02 -57.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.14 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 49.29 28.57 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 63.22 110.825 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . 0.512 ' H ' HG12 ' B' ' 6' ' ' VAL . 92.4 t80 -72.46 -45.58 58.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.817 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.56 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.12 111.096 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -28.74 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.42 110.893 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -55.44 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.819 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.96 -48.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.11 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 19.68 68.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 64.33 112.517 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.21 110.894 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 63.54 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.64 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.6 ptm -64.14 -40.74 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.853 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.3 t -68.15 -52.2 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.163 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.05 91.56 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.742 . . . . 52.24 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.12 82.1 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.687 -0.768 . . . . 71.3 112.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 23' ' ' MET . 92.2 t -64.26 -38.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 64.42 111.127 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.4 t -64.12 -58.75 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.069 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.61 -48.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 72.21 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.91 -52.57 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 61.53 111.143 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.76 -34.66 73.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.124 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 28' ' ' VAL . 48.2 t -61.85 -45.21 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.073 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' A' ' 33' ' ' ILE . 36.3 mm -70.11 -32.09 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.01 111.162 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.7 t -69.48 -56.31 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 72.22 111.121 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -59.32 -35.58 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 62.11 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.4 m -75.18 -36.5 61.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.45 111.167 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 37' ' ' LEU . 4.8 tt -68.71 -40.47 79.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.962 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 34' ' ' VAL . 89.4 t -67.38 -54.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.143 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ptm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.841 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.844 0.354 . . . . 74.1 110.781 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.13 -32.39 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 75.43 110.954 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -67.17 -32.26 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -44.28 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 65.4 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -66.12 -38.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 52.44 111.151 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -25.65 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.41 -31.15 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 15' ' ' ASN . . . -54.41 -31.92 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 62.33 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -27.46 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.867 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -81.49 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.24 110.841 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -100.38 -69.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.09 44.17 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 53.01 112.467 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -56.22 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 72.24 110.91 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.416 HD21 ' HB2' ' A' ' 9' ' ' ALA . 6.9 m120 58.7 179.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.819 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.5 -35.47 77.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 61.12 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 73.32 112.45 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.883 0.373 . . . . 61.23 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.35 -47.45 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.151 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -28.33 66.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.845 -0.693 . . . . 64.43 112.477 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.56 -50.3 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 70.3 110.864 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.639 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.8 ptm -67.25 -41.72 85.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.5 t -69.25 -52.42 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 71.34 111.144 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -32.51 84.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 70.22 112.478 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.87 -46.7 65.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 74.34 112.534 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 23' ' ' MET . 85.4 t -64.49 -40.71 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 74.34 111.165 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.0 t -63.59 -59.3 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.9 mt -51.87 -46.59 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.091 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.41 -57.93 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 61.53 111.146 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 m -55.69 -40.44 72.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 65.53 111.148 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 28' ' ' VAL . 59.1 t -54.68 -47.07 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.24 111.192 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' B' ' 33' ' ' ILE . 39.5 mm -71.07 -32.72 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.095 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 30' ' ' ALA . 54.2 t -67.03 -55.11 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 71.33 111.104 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.2 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.6 m -73.48 -37.07 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 64.4 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 37' ' ' LEU . 6.2 tt -65.83 -45.76 81.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 64.3 110.885 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.69 -30.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.137 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -38.01 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.42 110.864 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -42.86 95.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 71.23 110.925 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.12 110.902 179.813 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.803 0.335 . . . . 72.12 110.843 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.15 -32.95 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.897 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -68.07 -32.3 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 53.02 110.895 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -44.47 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 61.22 110.88 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.5 t -65.96 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.152 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 49.44 28.66 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 63.22 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.94 -31.36 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.8 -32.52 60.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 63.12 111.104 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -27.74 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 70.42 110.829 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -81.64 -55.16 4.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 t -100.39 -69.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 65.11 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 44.16 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 64.33 112.523 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 73.21 110.871 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 63.54 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.631 ' O ' HG23 ' B' ' 27' ' ' VAL . 16.0 ptm -67.01 -41.74 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.659 ' O ' HG23 ' B' ' 28' ' ' VAL . 97.3 t -69.27 -52.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.5 111.166 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -32.56 84.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 52.24 112.546 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.88 63.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.808 -0.711 . . . . 71.3 112.436 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 23' ' ' MET . 86.6 t -64.45 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 64.42 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.3 t -63.13 -59.5 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.25 111.15 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.47 -47.51 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.21 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.747 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.39 -58.09 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.13 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -54.96 -41.21 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 71.41 111.137 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 28' ' ' VAL . 57.6 t -54.27 -48.33 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.41 111.09 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' A' ' 33' ' ' ILE . 39.2 mm -69.51 -30.96 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.171 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 30' ' ' ALA . 60.1 t -66.84 -57.6 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 72.22 111.169 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -35.41 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 62.11 111.134 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.9 m -72.93 -35.87 67.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.4 ' HB2' HD12 ' A' ' 37' ' ' LEU . 6.0 tt -67.17 -45.81 75.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.998 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -73.37 -29.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.177 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.894 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.484 -0.246 . . . . 75.34 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.458 ' H ' HD12 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -139.61 -74.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 74.1 110.862 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -50.11 73.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.93 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -52.78 -46.24 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.32 -31.27 32.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 65.4 110.933 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.44 -38.9 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 52.44 111.125 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.39 -38.3 63.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 75.42 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.03 -30.9 64.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.35 -31.64 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 62.33 111.084 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -35.36 72.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.884 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.78 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 63.24 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.58 -66.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.41 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.28 78.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 53.01 112.439 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 m -125.88 20.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 72.24 110.819 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -116.87 -45.72 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.907 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -51.89 -30.28 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.88 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -34.02 88.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.88 -53.52 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 74.44 111.108 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.637 HG23 ' CE ' ' B' ' 23' ' ' MET . 47.1 mm -60.6 -56.4 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 61.23 111.164 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 24' ' ' VAL . 43.6 mm -57.97 -49.59 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 73.05 111.128 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.55 -27.3 63.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 64.43 112.548 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.52 -49.46 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 70.3 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.3 ptp -69.85 -41.38 74.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.845 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 28' ' ' VAL . 97.1 t -68.46 -52.53 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.34 111.129 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.26 -41.74 96.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 70.22 112.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.92 -49.43 75.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 74.34 112.463 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 93.7 t -62.54 -43.93 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 74.34 111.129 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.6 t -64.33 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.117 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.1 mt -52.84 -45.29 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 63.04 111.11 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.91 -56.76 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.093 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -58.33 -41.93 85.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 65.53 111.107 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.8 t -51.75 -51.61 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.138 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 33' ' ' ILE . 45.3 mm -63.56 -35.97 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.104 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 30' ' ' ALA . 45.5 t -63.54 -54.64 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.33 111.098 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.81 -39.68 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.127 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 m -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.46 -43.82 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 64.3 110.901 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.8 t -60.76 -40.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -38.48 77.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.911 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.29 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -26.44 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.931 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -52.22 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.896 179.834 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 53.22 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.59 -74.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 72.12 110.865 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -49.12 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 74.31 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -51.98 -45.74 64.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 53.02 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 2' ' ' SER . 2.2 mm? -51.94 -32.16 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -75.99 -37.38 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.25 111.121 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -52.06 -35.23 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.22 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -54.37 -32.47 57.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.9 -33.11 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 63.12 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -30.66 65.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -46.0 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.847 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.524 HG12 ' H ' ' B' ' 14' ' ' SER . 42.7 t -96.73 -70.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 65.11 111.157 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.07 73.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 64.33 112.491 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.524 ' H ' HG12 ' B' ' 12' ' ' VAL . 44.0 m -123.02 25.85 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.21 110.84 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -113.79 -47.79 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -53.8 -30.37 44.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.879 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.09 -30.61 78.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 53.42 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.73 -53.41 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.14 111.109 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -60.6 -57.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 64.11 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.514 ' O ' HG23 ' B' ' 24' ' ' VAL . 43.8 mm -59.43 -49.33 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.096 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.85 -26.74 63.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 73.3 112.506 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.19 -49.49 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 63.54 110.877 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.637 ' CE ' HG23 ' A' ' 19' ' ' ILE . 19.6 ptp -69.95 -41.56 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.882 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.597 ' O ' HG23 ' B' ' 28' ' ' VAL . 98.1 t -68.41 -53.04 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.56 -41.41 97.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.24 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -49.53 75.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 71.3 112.468 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 23' ' ' MET . 92.8 t -62.76 -43.94 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 64.42 111.166 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 87.4 t -64.27 -61.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.12 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 52.5 mt -52.33 -45.14 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.76 -57.13 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.53 111.13 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m -58.59 -41.95 86.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.098 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 93.1 t -51.68 -51.62 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' ILE . 45.8 mm -63.56 -36.09 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.01 111.142 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 45.8 t -63.47 -54.85 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.139 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.15 -39.79 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 62.11 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 59.7 m -63.84 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.14 -43.69 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.927 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 34' ' ' VAL . 97.3 t -60.81 -40.87 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.094 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -38.38 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.883 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.921 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -26.55 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.12 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -52.16 -65.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.03 110.91 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 35.43 110.899 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.525 -0.23 . . . . 75.34 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -114.97 165.53 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 74.1 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -29.24 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.918 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -34.93 55.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.968 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.4 110.93 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.92 -39.66 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 52.44 111.133 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.17 -38.23 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -41.39 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.843 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.2 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.33 111.146 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -78.22 -32.34 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -39.96 95.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.846 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -93.56 -65.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 74.41 111.093 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 32.73 20.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 53.01 112.461 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -108.43 -28.68 9.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 72.24 110.876 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.96 124.13 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.878 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.1 -41.4 68.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 61.12 110.889 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.72 -35.33 52.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 73.32 112.548 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.03 -51.81 42.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 74.44 111.067 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.2 mm -55.73 -58.46 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 61.23 111.131 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -52.36 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.05 111.121 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.77 58.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 64.43 112.454 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.54 -49.53 25.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 70.3 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.1 mtp -72.32 -52.53 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.82 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 28' ' ' VAL . 60.0 t -60.6 -46.45 95.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -46.05 90.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.9 84.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 74.34 112.463 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' MET . 93.0 t -70.05 -47.97 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.34 111.071 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.2 t -60.7 -57.44 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.095 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.74 -48.92 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 63.04 111.165 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.71 -53.6 37.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.53 111.097 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -42.59 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 65.53 111.14 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.7 t -52.41 -51.55 32.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.193 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' B' ' 33' ' ' ILE . 40.7 mm -60.82 -44.1 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 72.13 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ALA . 39.3 t -56.32 -51.68 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.33 111.167 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.86 -37.23 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 71.33 111.152 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -41.73 98.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.4 111.189 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -66.7 -45.5 78.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 64.3 110.921 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.69 -36.93 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.31 111.168 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -38.1 78.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 64.42 110.853 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.89 -26.08 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 71.23 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' HG3' HD23 ' A' ' 37' ' ' LEU . 3.1 mmmt -82.95 -40.4 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.893 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -26.14 63.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.895 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.927 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.507 -0.237 . . . . 53.22 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -114.99 165.56 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 72.12 110.857 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.67 -29.11 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -34.75 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 53.02 110.949 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.54 99.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 61.22 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.95 -39.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.25 111.178 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.23 -38.04 62.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 63.22 110.874 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -41.07 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 71.42 110.889 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.53 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 63.12 111.062 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -78.49 -32.47 48.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 70.42 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -39.59 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.894 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.9 t -93.1 -65.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 65.11 111.063 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.92 33.49 18.14 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.721 -0.752 . . . . 64.33 112.484 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t -108.09 -27.98 9.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 73.21 110.777 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -60.48 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.858 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -54.29 -41.27 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.944 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.83 -36.01 54.34 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.655 -0.783 . . . . 53.42 112.48 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.94 -51.95 34.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 74.14 111.139 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.76 -58.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 64.11 111.163 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.43 -52.72 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 64.5 111.181 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.67 -26.74 60.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 73.3 112.451 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.02 -47.31 52.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.84 0.352 . . . . 63.54 110.932 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.459 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.9 mtp -76.18 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.906 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.651 ' O ' HG23 ' B' ' 28' ' ' VAL . 59.8 t -59.02 -46.02 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.094 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.03 -46.16 89.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 52.24 112.45 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.61 84.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.487 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 23' ' ' MET . 89.8 t -69.79 -47.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 64.42 111.141 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.9 t -60.47 -57.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.25 111.135 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.62 -49.15 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.21 111.164 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.74 -53.45 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 61.53 111.117 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 20.8 m -59.94 -42.75 94.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.41 111.145 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.9 t -52.33 -51.62 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 72.41 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -60.75 -44.19 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.01 111.086 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 39.8 t -56.32 -51.53 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.7 mt -60.56 -37.11 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 62.11 111.156 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -63.48 -41.85 98.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.125 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -66.78 -45.63 77.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.954 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.65 -37.03 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.15 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.14 78.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 75.4 110.885 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -78.96 -26.02 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.54 110.876 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.516 ' HG3' HD23 ' B' ' 37' ' ' LEU . 3.1 mmmt -82.93 -40.52 20.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.874 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.1 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.965 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 35.43 110.915 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.468 -0.253 . . . . 75.34 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.6 149.34 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 74.1 110.869 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.899 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.27 -39.9 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 71.41 110.92 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -53.14 52.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 65.4 110.946 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.93 -37.7 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 52.44 111.165 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -34.18 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.02 -42.71 97.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.83 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 62.33 111.082 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -35.12 60.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 73.03 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.92 -29.95 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 63.24 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -99.46 -56.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.142 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.32 -42.59 2.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 53.01 112.489 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.0 m -106.83 21.09 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 72.24 110.907 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -61.99 -26.43 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 71.43 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.39 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 61.12 110.927 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.36 -37.21 47.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.32 112.447 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.85 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 74.44 111.076 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm -56.38 -58.4 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 61.23 111.136 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 mm -52.27 -51.01 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.05 111.069 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.29 -26.12 61.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.464 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.62 -49.21 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 70.3 110.846 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 27' ' ' VAL . 13.0 mtp -72.35 -52.51 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.8 t -61.78 -50.81 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.143 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.9 -47.02 92.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 70.22 112.536 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.68 -42.1 76.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 74.34 112.484 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' MET . 97.0 t -70.23 -41.76 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 74.34 111.152 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 32' ' ' VAL . 98.7 t -64.7 -59.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.124 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.6 -48.69 35.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 63.04 111.055 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.67 -52.43 48.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 61.53 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -62.02 -42.52 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 65.53 111.138 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.0 t -51.73 -51.63 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.153 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' B' ' 33' ' ' ILE . 40.8 mm -61.5 -47.5 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.13 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 30' ' ' ALA . 47.7 t -52.3 -54.79 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.33 111.078 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.25 -34.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 71.33 111.146 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.69 -41.82 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 64.4 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -66.91 -50.81 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 64.3 110.934 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -57.9 -43.66 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.173 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 mmm -64.73 -40.24 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.42 110.974 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 40' ' ' LEU . 10.9 tp -60.97 -36.2 78.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 71.23 110.885 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -83.22 -29.7 28.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.875 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -65.35 -51.77 58.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 75.13 110.86 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.523 -0.231 . . . . 53.22 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 149.26 39.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 72.12 110.898 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.97 -33.04 70.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -57.31 -40.26 77.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 53.02 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.11 -53.03 56.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 61.22 110.9 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 38.2 t -53.86 -37.55 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.114 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -34.6 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 63.22 110.929 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.49 -43.21 94.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.42 110.885 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.07 75.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 63.12 111.085 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -34.66 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.42 110.833 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -55.49 -30.91 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.924 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 t -100.47 -56.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.11 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.97 -44.46 2.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 64.33 112.51 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -108.31 23.17 14.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 73.21 110.889 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -63.41 -27.91 69.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.893 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -39.19 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.94 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.93 -38.81 55.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 53.42 112.478 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -50.12 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.738 0.304 . . . . 74.14 111.105 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mm -57.67 -58.83 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 64.11 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.39 -51.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 64.5 111.121 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.49 -27.44 63.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.774 . . . . 73.3 112.504 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.76 -47.12 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 63.54 110.961 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.51 ' O ' HG23 ' B' ' 27' ' ' VAL . 12.5 mtp -75.5 -59.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.33 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.686 ' O ' HG23 ' B' ' 28' ' ' VAL . 58.0 t -59.71 -49.43 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.11 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.37 -47.5 89.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 52.24 112.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.05 -41.97 70.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 71.3 112.532 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 23' ' ' MET . 93.2 t -69.87 -41.73 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 64.42 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.3 t -64.58 -58.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.151 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -51.51 -48.84 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 72.21 111.118 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.733 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.65 -52.29 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.53 111.08 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.3 m -62.14 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.174 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 28' ' ' VAL . 98.5 t -51.62 -51.93 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 72.41 111.142 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.482 HG22 HG22 ' A' ' 33' ' ' ILE . 40.7 mm -61.29 -48.13 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.095 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 30' ' ' ALA . 47.6 t -52.67 -54.79 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.22 111.192 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -58.4 -34.68 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 62.11 111.102 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.9 m -64.27 -42.21 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 75.45 111.177 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.522 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.19 -51.05 58.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.21 110.889 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 34' ' ' VAL . 21.8 t -58.03 -43.4 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.18 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 30.1 mmm -64.77 -40.21 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.4 110.869 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.481 ' O ' HD12 ' B' ' 40' ' ' LEU . 11.1 tp -60.96 -36.37 79.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 73.54 110.928 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -83.39 -29.71 27.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.877 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -65.39 -51.85 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.869 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 35.43 110.889 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.515 -0.234 . . . . 75.34 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -151.1 -44.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.823 0.344 . . . . 74.1 110.829 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -39.17 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.52 -34.46 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.76 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 65.4 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.54 -30.96 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 52.44 111.127 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -57.67 -27.82 63.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.516 ' O ' HG12 ' A' ' 12' ' ' VAL . 13.4 t80 -72.28 -52.12 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.892 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -54.44 -38.18 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 62.33 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -27.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.03 110.854 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.28 -54.0 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' PHE . 7.7 p -73.51 -28.52 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.08 45.56 87.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 53.01 112.484 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.03 -56.3 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 72.24 110.873 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -52.09 134.49 32.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.85 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.32 -31.86 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 61.12 110.919 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.47 -44.19 58.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 73.32 112.455 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -60.86 -49.17 78.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 74.44 111.093 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' CE ' ' B' ' 23' ' ' MET . 49.6 mm -56.27 -58.41 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.205 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -56.42 -52.13 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.153 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.24 -29.58 45.8 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 64.43 112.408 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.41 -54.33 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 70.3 110.914 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 20.4 ptp -62.05 -40.24 95.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.871 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 28' ' ' VAL . 93.0 t -66.67 -52.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.34 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.92 92.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -44.93 97.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 74.34 112.444 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 87.1 t -67.18 -44.17 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 74.34 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.1 t -63.29 -60.78 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.03 -46.07 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.04 111.168 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.82 -55.54 19.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.53 111.15 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -59.83 -42.47 93.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 65.53 111.167 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' VAL . 89.0 t -51.97 -51.22 30.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.24 111.143 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' B' ' 33' ' ' ILE . 44.3 mm -62.11 -41.0 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.11 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 30' ' ' ALA . 43.7 t -58.01 -53.44 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.33 111.104 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.97 -38.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.33 111.178 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.1 m -62.94 -46.87 85.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.4 111.195 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.34 -50.28 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 64.3 110.972 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -58.86 -45.49 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.31 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -53.86 -44.6 70.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 64.42 110.866 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -36.32 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 71.23 110.883 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -26.95 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.12 110.928 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -173.32 135.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.876 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.23 110.9 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.518 -0.233 . . . . 53.22 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -151.1 -44.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 72.12 110.881 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -39.15 80.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.954 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.57 -34.48 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 53.02 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -51.84 67.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.22 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 p -72.49 -30.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.25 111.142 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.47 -27.87 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.506 ' O ' HG12 ' B' ' 12' ' ' VAL . 13.4 t80 -72.25 -52.24 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 71.42 110.931 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' B' ' 18' ' ' ALA . . . -54.53 -38.3 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 63.12 111.121 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.55 -27.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.82 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.17 -54.05 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 8' ' ' PHE . 7.7 p -73.53 -28.76 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 65.11 111.13 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.76 45.54 85.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 64.33 112.528 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.09 -56.61 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 73.21 110.785 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -52.29 134.2 33.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.852 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -69.74 -32.07 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.869 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.79 -44.17 60.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 53.42 112.547 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.544 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . . . -61.04 -49.09 78.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.755 0.312 . . . . 74.14 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.511 HG23 ' CE ' ' A' ' 23' ' ' MET . 50.2 mm -56.4 -58.35 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 64.11 111.154 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.563 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.7 mm -56.99 -52.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 64.5 111.138 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.97 44.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 73.3 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.96 -54.46 7.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 63.54 110.925 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.632 ' O ' HG23 ' B' ' 27' ' ' VAL . 20.4 ptp -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.835 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.614 ' O ' HG23 ' B' ' 28' ' ' VAL . 94.7 t -66.68 -52.78 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.0 -43.62 93.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 52.24 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.05 97.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 71.3 112.441 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 23' ' ' MET . 91.3 t -67.2 -44.44 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 64.42 111.158 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.727 ' O ' HG23 ' B' ' 32' ' ' VAL . 93.6 t -63.15 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.156 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.86 -46.21 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.21 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.743 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.84 -55.68 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 61.53 111.107 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 m -59.7 -42.58 93.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.41 111.105 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 28' ' ' VAL . 86.1 t -52.0 -51.3 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.129 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.454 HG22 HG22 ' A' ' 33' ' ' ILE . 44.4 mm -61.89 -40.86 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.113 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 30' ' ' ALA . 42.2 t -58.39 -53.31 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.96 -38.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 62.11 111.089 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -46.72 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.15 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.26 -46.88 88.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.929 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 34' ' ' VAL . 23.0 t -56.47 -40.99 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.15 111.107 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.5 ttp -73.73 -44.09 57.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 75.4 110.833 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -36.13 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 73.54 110.906 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -27.25 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.12 110.957 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -173.19 135.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.03 110.863 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 35.43 110.937 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.435 0 N-CA-C 112.513 -0.235 . . . . 75.34 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.98 165.07 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 74.1 110.861 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -36.11 83.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -71.92 -31.76 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -52.8 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 65.4 110.968 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.84 -32.51 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 52.44 111.07 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.88 -39.93 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.977 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -75.65 -30.44 59.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 75.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB1' HD22 ' A' ' 15' ' ' ASN . . . -51.25 -34.21 31.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.09 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -82.91 -39.19 21.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 73.03 110.879 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.9 -51.5 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 63.24 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.28 -34.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.159 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.08 -35.36 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 53.01 112.508 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -22.3 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 72.24 110.924 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.658 HD22 ' HB1' ' A' ' 9' ' ' ALA . 2.2 m120 63.51 105.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 71.43 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -38.14 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 61.12 110.844 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.06 87.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 73.32 112.472 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.29 -53.64 28.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 74.44 111.138 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.26 -55.86 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.23 111.111 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -58.32 -52.34 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.05 111.122 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.98 41.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 64.43 112.496 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -54.98 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 70.3 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.4 ptm -61.02 -41.11 95.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.857 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.3 t -64.58 -52.61 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 71.34 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.29 94.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 70.22 112.465 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -46.11 87.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.34 112.501 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' MET . 92.4 t -64.37 -35.26 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 74.34 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 t -69.64 -56.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.166 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.639 HG22 HD11 ' A' ' 33' ' ' ILE . 43.8 mm -56.0 -48.05 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 63.04 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.4 -58.91 5.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.53 111.101 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 27' ' ' VAL . 45.9 p -51.66 -52.83 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.423 . . . . 65.53 111.138 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.0 t -51.3 -51.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.176 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.639 HD11 HG22 ' A' ' 29' ' ' ILE . 24.4 mt -57.57 -46.93 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.13 111.132 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 30' ' ' ALA . 49.9 t -51.92 -54.91 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.33 111.11 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.71 -36.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.166 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -63.96 -41.7 97.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.4 111.129 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -67.89 -41.6 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.961 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 34' ' ' VAL . 23.6 t -57.12 -53.29 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 72.31 111.16 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -62.62 -35.07 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.42 110.865 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -39.07 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -81.85 -30.05 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.874 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.05 102.38 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.89 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.89 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.516 -0.234 . . . . 53.22 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.01 165.06 25.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 72.12 110.865 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -36.9 85.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.891 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -72.42 -32.43 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 53.02 110.871 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -52.04 63.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 61.22 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -62.07 -32.72 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.099 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -58.29 -41.51 84.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 63.22 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.3 -30.63 38.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.28 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 63.12 111.107 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -101.22 -46.8 4.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 70.42 110.867 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.78 -37.26 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 65.11 111.166 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.68 -40.41 2.93 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 64.33 112.521 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -22.83 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 73.21 110.85 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m120 63.52 104.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -39.67 13.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.968 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.93 -34.44 87.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 53.42 112.428 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -54.68 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.752 0.311 . . . . 74.14 111.053 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.86 -57.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 64.11 111.103 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.568 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.8 mm -60.0 -52.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.104 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.91 -29.17 42.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 73.3 112.477 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -54.91 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 63.54 110.911 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.636 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.4 ptm -61.11 -41.48 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.88 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.687 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.5 t -64.8 -53.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 73.5 111.151 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.14 94.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 52.24 112.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.36 85.71 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.807 -0.711 . . . . 71.3 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 23' ' ' MET . 95.5 t -65.12 -35.71 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 64.42 111.16 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.687 HG23 ' O ' ' B' ' 24' ' ' VAL . 98.6 t -70.24 -57.04 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.064 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.648 HG22 HD11 ' B' ' 33' ' ' ILE . 43.6 mm -56.29 -48.03 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.101 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.23 -58.92 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 61.53 111.095 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' VAL . 46.5 p -51.56 -52.76 44.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 71.41 111.234 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 28' ' ' VAL . 96.3 t -51.39 -51.81 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.41 111.081 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.648 HD11 HG22 ' B' ' 29' ' ' ILE . 25.1 mt -57.31 -46.52 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.01 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.0 t -51.54 -56.98 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.139 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -57.72 -35.98 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.11 111.078 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -64.09 -41.86 97.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.45 111.089 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.83 -41.46 82.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.912 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 34' ' ' VAL . 24.3 t -57.38 -53.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.15 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -63.08 -34.03 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 75.4 110.852 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -39.17 91.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 73.54 110.861 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -81.73 -29.73 32.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.12 110.888 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 102.38 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.855 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 35.43 110.9 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.431 -0.268 . . . . 75.34 112.431 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -100.91 81.72 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 74.1 110.834 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.15 -28.73 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.43 110.862 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -68.9 -34.82 76.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.41 110.855 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.26 -55.46 31.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.4 110.963 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.13 -31.02 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 52.44 111.076 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.71 -30.99 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.913 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -74.27 -31.23 62.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.942 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.6 84.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 62.33 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.71 -28.62 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -46.61 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 63.24 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.45 -25.33 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.074 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.17 55.21 8.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 53.01 112.448 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.3 t -117.27 20.92 13.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 72.24 110.873 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -108.68 -26.71 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.913 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -37.07 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 61.12 110.878 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.27 -41.12 61.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 73.32 112.518 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.18 54.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 74.44 111.162 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.7 mt -55.04 -58.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 61.23 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.22 -39.93 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.05 111.123 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.92 -27.38 73.95 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 64.43 112.439 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.64 -42.67 58.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 70.3 110.901 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.634 ' O ' HG23 ' A' ' 27' ' ' VAL . 21.5 ptp -71.14 -40.38 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.2 t -71.52 -51.47 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 71.34 111.055 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.86 -33.65 84.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 70.22 112.477 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.2 -52.13 19.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 74.34 112.507 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' MET . 95.1 t -56.35 -40.61 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 74.34 111.033 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.6 t -62.41 -57.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.132 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.9 -47.08 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 63.04 111.144 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.03 -53.46 41.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 61.53 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 m -61.36 -40.04 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.53 111.159 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 28' ' ' VAL . 92.8 t -53.72 -51.33 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.106 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' B' ' 33' ' ' ILE . 42.3 mm -62.44 -44.93 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.124 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.6 t -54.1 -54.67 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 71.33 111.167 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.26 -38.16 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.33 111.083 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.1 m -63.93 -38.99 93.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.4 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -36.31 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 64.3 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.1 t -63.7 -46.76 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 72.31 111.078 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.91 -35.27 78.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.42 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.31 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 71.23 110.911 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -28.66 38.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.12 110.923 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -81.88 89.81 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.95 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tttp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.911 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 N-CA-C 112.471 -0.251 . . . . 53.22 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -100.74 81.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 72.12 110.869 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.08 -28.7 69.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -69.0 -34.77 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 53.02 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.33 -55.57 30.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 61.22 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.07 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 75.25 111.103 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -68.66 -30.97 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 63.22 110.928 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -74.34 -31.4 62.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 71.42 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.4 84.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 63.12 111.118 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.69 -28.39 68.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.91 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -46.78 78.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.877 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.69 -25.7 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 65.11 111.066 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.87 54.91 8.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 64.33 112.527 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t -117.88 23.91 11.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 73.21 110.831 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -109.21 -26.75 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.895 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.27 63.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 71.21 110.906 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.72 -41.57 66.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 53.42 112.482 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -53.16 52.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 74.14 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.56 HG23 ' HE2' ' A' ' 23' ' ' MET . 74.7 mt -55.36 -58.69 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 64.11 111.15 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.506 ' O ' HG23 ' B' ' 24' ' ' VAL . 50.2 mm -55.36 -40.03 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 64.5 111.105 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.62 -22.77 75.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.3 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.584 HD12 ' O ' ' B' ' 22' ' ' LEU . 0.1 OUTLIER -81.26 -43.09 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 63.54 110.982 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.642 ' O ' HG23 ' B' ' 27' ' ' VAL . 21.5 ptp -70.6 -40.97 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.89 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.662 ' O ' HG23 ' B' ' 28' ' ' VAL . 99.2 t -71.6 -50.87 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.5 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -33.59 83.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 52.24 112.462 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.69 -52.02 17.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 71.3 112.503 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' MET . 94.5 t -56.24 -40.16 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 64.42 111.075 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.748 ' O ' HG23 ' B' ' 32' ' ' VAL . 99.2 t -63.15 -58.08 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 72.25 111.18 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 35.4 mt -52.01 -47.12 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.21 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -52.21 -53.31 45.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.147 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -61.29 -40.08 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.17 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 28' ' ' VAL . 92.0 t -53.9 -51.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.121 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 33' ' ' ILE . 42.1 mm -62.57 -44.91 99.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 74.01 111.151 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -54.11 -54.49 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.22 111.2 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.42 -38.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 62.11 111.113 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -63.85 -39.03 93.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 75.45 111.145 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.83 -36.2 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.954 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 34' ' ' VAL . 96.0 t -63.66 -46.75 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 74.15 111.144 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 4.7 ptm -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.907 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -43.27 95.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.18 -28.59 38.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 71.12 110.854 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -81.94 89.71 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.981 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 35.43 110.87 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.492 -0.243 . . . . 75.34 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -135.92 82.5 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 74.1 110.852 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -30.33 67.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.43 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -37.31 83.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 71.41 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -57.47 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 65.4 110.881 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.17 -27.33 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 52.44 111.113 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -54.77 -33.68 61.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.64 -47.84 84.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.0 81.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 62.33 111.078 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.65 -26.69 65.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 73.03 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -54.01 -31.52 51.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 63.24 110.857 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.19 -31.47 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.41 111.105 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.17 43.93 93.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 53.01 112.517 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -119.29 -46.93 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.345 . . . . 72.24 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 18' ' ' ALA . 1.8 p30 -52.35 123.11 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.846 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -36.12 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 61.12 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.6 -39.19 53.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.646 -0.788 . . . . 73.32 112.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -66.85 -52.33 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 74.44 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.1 -58.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 61.23 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -59.43 -51.01 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 73.05 111.077 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.58 -29.37 53.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.43 112.498 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.55 -54.18 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 70.3 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.634 ' CE ' HG23 ' B' ' 19' ' ' ILE . 19.2 ptp -62.78 -42.36 99.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.869 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.8 t -66.83 -52.9 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.12 -32.26 56.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 70.22 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.03 -45.57 31.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 74.34 112.494 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' THR . 54.9 t -68.74 -34.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 74.34 111.149 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.0 t -69.05 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 33' ' ' ILE . 40.7 mm -55.61 -46.71 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 63.04 111.147 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.03 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.53 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' VAL . 42.3 p -53.33 -52.1 60.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 65.53 111.156 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 28' ' ' VAL . 96.6 t -50.63 -51.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.24 111.094 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 29' ' ' ILE . 23.9 mt -57.25 -44.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.7 t -53.93 -54.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 71.33 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -58.92 -34.19 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.33 111.05 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -67.57 -45.77 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 64.4 111.103 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.22 -45.61 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 64.3 110.873 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.0 t -61.39 -39.85 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.31 111.131 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -69.87 -35.1 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 64.42 110.852 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -47.11 74.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.23 110.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -23.96 47.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.942 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -51.99 -58.28 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.13 110.889 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.869 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 53.22 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -135.87 82.56 1.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 72.12 110.872 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 74.31 110.918 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.46 84.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 53.02 110.944 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -57.89 11.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 61.22 110.922 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.67 -27.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.154 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -54.86 -33.34 61.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.47 -48.68 80.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.912 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.87 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 63.12 111.151 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.57 -26.46 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.843 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -53.72 -31.97 50.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.909 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -103.72 -33.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.11 111.131 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.54 44.37 85.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 64.33 112.493 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -118.71 -47.12 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 73.21 110.874 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.07 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -36.62 19.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.949 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.81 -41.41 58.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 53.42 112.467 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.3 -53.5 23.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 74.14 111.082 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.634 HG23 ' CE ' ' A' ' 23' ' ' MET . 51.5 mm -56.52 -58.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 64.11 111.072 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.508 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.7 mm -59.01 -51.12 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.138 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.14 -27.89 47.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 73.3 112.461 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.62 -54.96 6.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 63.54 110.895 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.7 ptp -61.85 -42.81 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.882 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.698 ' O ' HG23 ' B' ' 28' ' ' VAL . 90.1 t -64.44 -62.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 73.5 111.157 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.71 -27.62 28.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 52.24 112.503 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.96 22.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 71.3 112.517 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.48 ' O ' HG23 ' B' ' 31' ' ' THR . 0.7 OUTLIER -68.65 -25.36 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 64.42 111.102 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 24' ' ' VAL . 85.5 t -70.54 -60.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 33' ' ' ILE . 42.4 mm -56.66 -45.93 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.16 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -54.75 -59.68 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 61.53 111.116 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.6 p -51.6 -52.38 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.211 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 28' ' ' VAL . 99.3 t -50.61 -51.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.41 111.113 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.586 HD11 HG22 ' B' ' 29' ' ' ILE . 28.2 mt -59.22 -44.11 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.01 111.114 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.3 t -54.03 -56.48 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.22 111.157 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.75 -34.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 62.11 111.094 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -68.64 -46.5 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.45 111.123 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.99 -44.79 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 74.21 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 34' ' ' VAL . 95.4 t -60.39 -38.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.07 -33.78 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.874 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -47.28 73.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.859 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -24.51 44.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.906 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -51.98 -58.1 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.927 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 35.43 110.869 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.463 -0.255 . . . . 75.34 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -81.46 -50.01 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.1 110.832 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 -26.32 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.95 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -34.27 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.917 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -37.7 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 65.4 110.938 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -41.88 78.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 52.44 111.065 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.14 -35.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.81 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -40.23 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.4 -38.63 71.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 62.33 111.048 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -26.67 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 73.03 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -76.08 -45.23 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 63.24 110.873 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.4 t -68.57 -69.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.44 40.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 53.01 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -112.3 -26.07 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 72.24 110.934 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.14 22.09 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 71.43 110.91 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -29.68 26.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 61.12 110.907 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.28 -45.01 58.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 73.32 112.493 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.94 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 74.44 111.106 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.1 mm -57.83 -58.57 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 61.23 111.075 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.6 mm -52.4 -48.55 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 73.05 111.136 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -26.96 65.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 64.43 112.492 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.46 -48.76 31.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 70.3 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' B' ' 22' ' ' LEU . 10.8 mtp -72.26 -52.56 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 28' ' ' VAL . 84.0 t -62.04 -52.88 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.34 111.107 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.39 93.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 70.22 112.449 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.83 95.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.443 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.3 -35.9 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 74.34 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.5 t -69.1 -55.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.114 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mt -53.52 -50.06 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.041 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.18 -59.09 5.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.128 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.74 -51.75 53.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 65.53 111.151 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 28' ' ' VAL . 97.9 t -50.43 -51.82 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.24 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.43 -52.42 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.13 111.203 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 30' ' ' ALA . 61.2 t -51.31 -55.04 9.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 71.33 111.106 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mt -56.15 -35.66 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.33 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -70.29 -45.1 66.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 64.4 111.157 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.56 -37.96 88.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 64.3 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.1 t -65.34 -52.21 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 72.31 111.097 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.7 ptm -66.98 -35.13 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 64.42 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.54 -43.96 92.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 71.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -26.08 41.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.861 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.78 149.19 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.947 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.901 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 53.22 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -81.64 -49.93 9.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 72.12 110.792 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.05 -26.17 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.1 77.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 53.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.17 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.875 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.74 -41.89 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 75.25 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.26 -34.81 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.67 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 71.42 110.897 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -39.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 63.12 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -26.28 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 70.42 110.883 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -75.62 -44.53 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.93 -71.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 65.11 111.12 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 64.33 112.449 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -111.5 -26.57 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 73.21 110.887 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.7 21.86 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.801 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -31.29 56.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.919 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.59 60.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 53.42 112.526 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -50.67 71.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 74.14 111.023 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mm -58.77 -59.15 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 64.11 111.168 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -51.15 -48.51 31.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 64.5 111.083 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.51 69.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 73.3 112.484 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 23' ' ' MET . 1.3 mt -70.96 -47.45 58.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 63.54 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -70.41 -60.11 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.716 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.7 t -58.76 -57.73 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.96 -34.08 70.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.686 -0.768 . . . . 52.24 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.29 -48.62 81.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 71.3 112.476 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 31' ' ' THR . 0.3 OUTLIER -69.0 -26.98 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 64.42 111.113 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 24' ' ' VAL . 99.2 t -70.32 -57.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.25 111.168 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -47.93 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.21 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.681 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -53.86 -58.84 5.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 61.53 111.061 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 27' ' ' VAL . 40.3 p -51.29 -51.5 53.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.41 111.117 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 28' ' ' VAL . 89.9 t -50.63 -54.16 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.41 111.117 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 mm -60.58 -52.3 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 74.01 111.127 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 30' ' ' ALA . 59.8 t -51.55 -57.78 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 72.22 111.153 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -53.27 -35.26 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 62.11 111.133 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -70.72 -45.23 65.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 75.45 111.167 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.28 -37.91 84.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 34' ' ' VAL . 92.4 t -64.62 -52.08 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.108 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.95 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.917 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.94 -44.1 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 73.54 110.867 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -26.19 40.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.921 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 149.21 22.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.926 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 35.43 110.9 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 75.34 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -108.37 -49.41 3.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 74.1 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.38 -26.44 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.64 -37.48 73.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.89 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -51.35 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 65.4 110.897 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.43 -34.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 52.44 111.083 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.33 -30.25 69.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.896 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -35.06 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -48.15 81.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 62.33 111.095 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.59 -34.21 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.03 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -52.81 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 63.24 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -75.69 -61.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.23 21.61 40.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 53.01 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -56.22 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.907 0.384 . . . . 72.24 110.825 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.23 111.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.66 56.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 61.12 110.88 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.57 -35.23 51.19 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.762 -0.732 . . . . 73.32 112.521 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.35 -51.68 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 74.44 111.092 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG23 ' CE ' ' B' ' 23' ' ' MET . 65.2 mt -56.75 -58.4 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 61.23 111.184 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.6 mm -52.31 -51.3 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.143 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.05 -26.12 60.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 64.43 112.449 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.52 -49.17 27.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 70.3 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.9 mtp -72.44 -52.52 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.825 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.2 t -61.6 -47.51 93.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 71.34 111.135 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.86 -47.27 87.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.777 . . . . 70.22 112.453 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.13 -41.72 79.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 74.34 112.486 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' MET . 86.6 t -69.98 -50.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 74.34 111.179 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.4 t -58.57 -57.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.124 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.89 -48.94 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 63.04 111.149 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 61.53 111.104 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.27 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.53 111.107 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.9 t -57.12 -51.59 67.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' B' ' 33' ' ' ILE . 42.0 mm -60.77 -43.46 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 72.13 111.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 46.9 t -55.86 -54.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 71.33 111.129 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.58 -35.86 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.33 111.17 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -64.5 -41.22 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.131 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.56 -47.62 72.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.942 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.99 -43.7 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.112 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -44.06 89.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 64.42 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.32 -28.31 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.23 110.912 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -35.99 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.831 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.21 146.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 75.13 110.939 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.881 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 53.22 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -108.26 -49.42 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 72.12 110.896 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.42 -26.32 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -57.53 -37.44 73.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.02 110.887 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -51.48 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 61.22 110.941 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.55 -34.93 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.25 111.109 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -30.02 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.22 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -34.98 65.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.932 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.59 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.12 111.118 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.97 -34.06 75.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -52.54 -54.52 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.2 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.11 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.81 22.37 39.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.462 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.12 -56.15 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 73.21 110.838 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.38 110.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.13 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -36.94 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.77 -36.07 54.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 53.42 112.488 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.31 -52.45 22.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 74.14 111.096 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.68 -58.36 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 64.11 111.128 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -51.38 -51.78 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 64.5 111.138 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.32 -27.07 62.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.759 -0.734 . . . . 73.3 112.435 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.97 -46.81 56.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 63.54 110.935 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.593 ' O ' HG23 ' B' ' 27' ' ' VAL . 4.0 mtp -76.29 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.819 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.633 ' O ' HG23 ' B' ' 28' ' ' VAL . 65.3 t -59.48 -47.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.5 111.134 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.12 79.0 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.719 -0.753 . . . . 52.24 112.536 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.92 82.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 71.3 112.452 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 23' ' ' MET . 88.2 t -70.03 -50.7 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 64.42 111.098 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 32' ' ' VAL . 91.8 t -58.44 -57.29 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.146 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.66 -49.09 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.158 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.737 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.82 -52.39 49.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.108 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -61.21 -38.21 85.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.154 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 28' ' ' VAL . 91.6 t -56.87 -51.55 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.056 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 33' ' ' ILE . 41.3 mm -61.04 -43.53 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.01 111.195 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 30' ' ' ALA . 46.3 t -56.18 -54.37 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.22 111.149 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -59.81 -36.1 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 62.11 111.104 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -64.7 -41.7 95.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 75.45 111.223 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.19 -46.81 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.898 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.15 111.101 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -44.07 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.9 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.89 -28.24 67.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 73.54 110.956 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -36.27 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 71.12 110.908 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.99 146.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 72.03 110.932 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.34 -0.391 . . . . 35.43 110.863 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.511 -0.236 . . . . 75.34 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 52.21 72.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 74.1 110.836 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -54.9 -30.08 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -36.8 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 71.41 110.89 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.05 -34.51 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 65.4 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -73.26 -33.95 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 52.44 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -33.73 71.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -47.55 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.853 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -38.26 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.062 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.61 -33.09 60.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.87 -49.35 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 63.24 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.3 t -82.73 -35.67 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.149 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.69 21.12 75.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 53.01 112.446 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 t -104.52 20.99 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 72.24 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.35 22.08 14.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 71.43 110.862 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -54.2 -35.76 62.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 61.12 110.91 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.2 -42.89 63.37 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 73.32 112.526 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.19 -46.18 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 74.44 111.115 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.9 mm -55.4 -56.5 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 61.23 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.48 -49.71 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.05 111.112 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.17 -23.3 63.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 64.43 112.478 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.4 -54.49 6.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.3 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.78 -40.44 72.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.946 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 28' ' ' VAL . 75.3 t -72.99 -52.62 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 71.34 111.146 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.81 74.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 70.22 112.506 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.23 -52.25 9.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 23' ' ' MET . 88.5 t -57.3 -36.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 74.34 111.11 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 32' ' ' VAL . 88.5 t -67.54 -54.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.076 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.93 -49.94 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 63.04 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.27 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 61.53 111.127 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.4 p -51.47 -51.6 53.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.187 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 28' ' ' VAL . 95.7 t -50.69 -51.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.057 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.88 -42.9 94.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 62.0 t -60.37 -55.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.33 111.107 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -55.18 -33.32 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 71.33 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -67.79 -53.64 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.4 111.163 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.3 -43.11 82.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 64.3 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.24 -29.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 72.31 111.119 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -68.02 -34.21 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 64.42 110.943 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.16 -33.18 14.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 71.23 110.972 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -83.0 -9.11 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.888 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.59 -169.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 75.13 110.865 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 pttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.894 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.431 -0.268 . . . . 53.22 112.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 52.17 72.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 72.12 110.849 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -55.02 -30.01 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.897 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.18 -36.86 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 53.02 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.01 -34.9 58.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 61.22 110.95 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.55 -33.96 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 75.25 111.139 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -33.4 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -47.97 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.42 110.839 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.71 -38.78 67.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.12 111.113 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.07 -32.68 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.941 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.32 -49.21 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.64 -36.8 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 65.11 111.127 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.65 21.61 76.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.761 -0.733 . . . . 64.33 112.507 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.4 t -104.06 24.04 12.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 73.21 110.833 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.71 21.71 14.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.881 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.836 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.87 -43.07 60.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 53.42 112.557 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.67 53.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 74.14 111.138 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.61 -57.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.118 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.04 -47.99 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.5 111.143 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -20.45 61.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.661 -0.781 . . . . 73.3 112.467 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -80.27 -53.88 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 63.54 110.965 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.609 ' O ' HG23 ' B' ' 27' ' ' VAL . 0.0 OUTLIER -69.94 -39.9 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.879 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.621 ' O ' HG23 ' B' ' 28' ' ' VAL . 77.9 t -73.71 -51.64 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.5 111.167 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.42 -30.9 72.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 52.24 112.56 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.29 -52.83 7.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 71.3 112.461 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 23' ' ' MET . 89.6 t -56.52 -36.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 64.42 111.151 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.671 ' O ' HG23 ' B' ' 32' ' ' VAL . 84.7 t -68.1 -56.53 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.25 111.103 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.53 -49.28 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.21 111.151 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.699 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.21 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 61.53 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' VAL . 41.3 p -51.3 -51.58 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.41 111.147 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 28' ' ' VAL . 85.8 t -50.78 -54.91 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.187 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.99 -42.13 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.01 111.099 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 30' ' ' ALA . 68.0 t -61.36 -59.11 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.174 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.59 -30.84 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 62.11 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.56 HG23 ' C ' ' B' ' 41' ' ' LYS . 83.3 m -67.4 -57.21 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.072 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.47 -38.75 92.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 34' ' ' VAL . 84.5 t -61.57 -37.12 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.15 111.11 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mmm -83.62 -75.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.83 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.82 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 73.54 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.56 ' C ' HG23 ' B' ' 36' ' ' THR . 10.7 mmtt -117.15 -20.0 9.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 71.12 110.926 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.522 ' HA ' HG23 ' B' ' 36' ' ' THR . 0.1 OUTLIER -179.34 -169.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.893 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 pttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 35.43 110.902 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.529 -0.229 . . . . 75.34 112.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -93.13 154.88 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 74.1 110.855 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.76 73.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.96 -31.23 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.41 110.841 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.56 -31.82 73.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 65.4 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.12 -57.56 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 52.44 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.63 -25.69 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -72.11 -45.26 61.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.855 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.642 ' HB1' ' ND2' ' A' ' 15' ' ' ASN . . . -54.72 -51.49 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 62.33 111.097 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -29.07 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.924 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.69 -55.04 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.58 -47.87 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.41 111.108 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 19.98 65.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 53.01 112.533 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -120.98 20.94 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.861 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.642 ' ND2' ' HB1' ' A' ' 9' ' ' ALA . 20.1 p30 -81.35 -27.34 34.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.875 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -43.28 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 61.12 110.916 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.01 -35.19 90.36 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.801 -0.714 . . . . 73.32 112.432 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.74 -51.2 43.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 74.44 111.095 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.14 -58.47 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.6 mm -55.31 -52.22 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.05 111.1 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -28.54 50.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 64.43 112.538 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.4 -53.33 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 70.3 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.6 ptm -64.33 -40.49 96.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.905 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 28' ' ' VAL . 99.1 t -68.45 -52.3 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.42 -34.98 91.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 70.22 112.463 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.36 80.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 74.34 112.497 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 23' ' ' MET . 89.6 t -64.19 -38.7 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 74.34 111.079 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.8 t -64.32 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.11 111.118 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.63 -48.03 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.04 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.8 -53.08 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 61.53 111.097 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.37 -34.45 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.53 111.187 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 28' ' ' VAL . 47.7 t -61.95 -44.82 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' B' ' 33' ' ' ILE . 36.4 mm -70.8 -32.8 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.13 111.154 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 30' ' ' ALA . 48.2 t -69.22 -54.98 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.33 111.103 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.29 -36.04 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.33 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.2 m -73.9 -37.17 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 ' HB2' HD12 ' B' ' 37' ' ' LEU . 5.3 tt -68.55 -40.45 80.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 92.0 t -66.62 -53.64 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.3 ptm -59.58 -35.02 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -25.95 61.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 71.23 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -96.84 -44.29 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.928 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -103.4 68.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.936 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.23 110.844 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 53.22 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -93.27 154.8 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 72.12 110.825 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -32.7 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -53.88 -31.04 48.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 53.02 110.868 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.38 -31.84 73.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 61.22 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.512 HG12 ' H ' ' B' ' 8' ' ' PHE . 47.3 t -85.02 -57.8 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.14 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 49.29 28.57 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 63.22 110.825 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.512 ' H ' HG12 ' B' ' 6' ' ' VAL . 92.4 t80 -72.46 -45.58 58.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.817 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.5 ' HB1' ' ND2' ' B' ' 15' ' ' ASN . . . -55.36 -51.56 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.12 111.096 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -28.74 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.42 110.893 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -55.44 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.819 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.96 -48.47 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.11 111.136 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 19.68 68.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 64.33 112.517 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.8 p -121.18 24.06 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.21 110.894 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . 0.5 ' ND2' ' HB1' ' B' ' 9' ' ' ALA . 20.2 p30 -81.73 -27.9 33.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.938 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -43.4 66.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.16 -35.09 90.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 53.42 112.501 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.87 -52.05 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 74.14 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.84 -58.67 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.212 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.501 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.6 mm -55.48 -52.26 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.176 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.18 48.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.654 -0.784 . . . . 73.3 112.548 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.86 -53.46 10.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 63.54 110.955 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.64 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.6 ptm -64.14 -40.74 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.853 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 28' ' ' VAL . 96.3 t -68.15 -52.2 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.163 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.05 91.56 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.742 . . . . 52.24 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.16 -46.12 82.1 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.687 -0.768 . . . . 71.3 112.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 23' ' ' MET . 92.2 t -64.26 -38.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 64.42 111.127 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.4 t -64.12 -58.75 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.069 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -51.61 -48.2 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 72.21 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.91 -52.57 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 61.53 111.143 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -59.76 -34.66 73.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.124 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 28' ' ' VAL . 48.2 t -61.85 -45.21 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.073 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.81 HG22 HG22 ' A' ' 33' ' ' ILE . 36.3 mm -70.11 -32.09 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.01 111.162 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 30' ' ' ALA . 53.7 t -69.48 -56.31 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 72.22 111.121 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 tp -59.32 -35.58 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 62.11 111.139 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.4 m -75.18 -36.5 61.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.45 111.167 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 37' ' ' LEU . 4.8 tt -68.71 -40.47 79.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.962 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 34' ' ' VAL . 89.4 t -67.38 -54.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.143 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ptm -59.42 -33.88 71.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 75.4 110.841 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -26.33 62.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -96.8 -44.26 7.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.879 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -103.45 69.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 72.03 110.902 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 35.43 110.929 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.459 -0.256 . . . . 75.34 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.31 170.88 10.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 74.1 110.781 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.13 -32.39 61.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 75.43 110.954 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -67.17 -32.26 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -44.28 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 65.4 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -66.12 -38.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 52.44 111.151 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -25.65 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.41 -31.15 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.836 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 15' ' ' ASN . . . -54.41 -31.92 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 62.33 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -27.46 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.867 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -81.49 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.24 110.841 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -100.38 -69.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.09 44.17 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 53.01 112.467 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -56.22 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 72.24 110.91 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.416 HD21 ' HB2' ' A' ' 9' ' ' ALA . 6.9 m120 58.7 179.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.819 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.5 -35.47 77.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 61.12 110.905 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.06 -34.31 52.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 73.32 112.45 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.35 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 74.44 111.11 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.89 -54.08 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 61.23 111.153 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . 48.7 mm -55.35 -47.45 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 73.05 111.151 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -28.33 66.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.845 -0.693 . . . . 64.43 112.477 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.56 -50.3 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 70.3 110.864 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.639 ' O ' HG23 ' A' ' 27' ' ' VAL . 15.8 ptm -67.25 -41.72 85.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 98.5 t -69.25 -52.42 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 71.34 111.144 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -32.51 84.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 70.22 112.478 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.87 -46.7 65.22 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 74.34 112.534 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 23' ' ' MET . 85.4 t -64.49 -40.71 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 74.34 111.165 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 32' ' ' VAL . 93.0 t -63.59 -59.3 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.132 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.9 mt -51.87 -46.59 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.091 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -51.41 -57.93 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 61.53 111.146 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 m -55.69 -40.44 72.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 65.53 111.148 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 28' ' ' VAL . 59.1 t -54.68 -47.07 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.24 111.192 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' B' ' 33' ' ' ILE . 39.5 mm -71.07 -32.72 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.095 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 30' ' ' ALA . 54.2 t -67.03 -55.11 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 71.33 111.104 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -35.76 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.2 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.6 m -73.48 -37.07 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 64.4 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 37' ' ' LEU . 6.2 tt -65.83 -45.76 81.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 64.3 110.885 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.69 -30.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.137 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -38.01 82.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.42 110.864 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -42.86 95.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 71.23 110.925 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -79.51 -25.47 41.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.12 110.902 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 tttt 59.68 84.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.907 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.856 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 53.22 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.26 170.67 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 72.12 110.843 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.15 -32.95 61.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.897 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -68.07 -32.3 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 53.02 110.895 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -44.47 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 61.22 110.88 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.5 t -65.96 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.152 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 49.44 28.66 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 63.22 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.94 -31.36 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.876 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.8 -32.52 60.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 63.12 111.104 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -27.74 66.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 70.42 110.829 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -81.64 -55.16 4.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 t -100.39 -69.46 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 65.11 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 44.16 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 64.33 112.523 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.95 -56.04 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 73.21 110.871 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 m120 58.83 179.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 74.13 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -61.7 -35.19 77.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.917 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.63 -34.41 49.95 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 53.42 112.516 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.49 36.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 111.143 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -54.97 -53.74 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.121 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.515 ' O ' HG23 ' B' ' 24' ' ' VAL . 49.9 mm -54.82 -47.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 64.5 111.188 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.24 -27.92 66.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 73.3 112.468 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.6 -50.24 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 63.54 110.919 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.631 ' O ' HG23 ' B' ' 27' ' ' VAL . 16.0 ptm -67.01 -41.74 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.891 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.659 ' O ' HG23 ' B' ' 28' ' ' VAL . 97.3 t -69.27 -52.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.5 111.166 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -32.56 84.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 52.24 112.546 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.94 -46.88 63.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.808 -0.711 . . . . 71.3 112.436 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 23' ' ' MET . 86.6 t -64.45 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 64.42 111.136 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.746 ' O ' HG23 ' B' ' 32' ' ' VAL . 92.3 t -63.13 -59.5 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 72.25 111.15 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.47 -47.51 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.21 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.747 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -51.39 -58.09 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.53 111.13 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -54.96 -41.21 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 71.41 111.137 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 28' ' ' VAL . 57.6 t -54.27 -48.33 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.41 111.09 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.691 HG22 HG22 ' A' ' 33' ' ' ILE . 39.2 mm -69.51 -30.96 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.171 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 30' ' ' ALA . 60.1 t -66.84 -57.6 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 72.22 111.169 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -35.41 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 62.11 111.134 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.9 m -72.93 -35.87 67.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.137 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.4 ' HB2' HD12 ' A' ' 37' ' ' LEU . 6.0 tt -67.17 -45.81 75.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.998 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -73.37 -29.05 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.177 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.57 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.894 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -42.69 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.941 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -79.59 -25.32 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.915 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 59.56 84.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.907 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 35.43 110.92 179.893 . . . . . . . . 0 0 . 1 stop_ save_