data_2ncw_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 2ncw _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.308 . . . . 75.109999999999999 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.52 19.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 21.17 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.925 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -57.21 -19.94 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 70.129999999999995 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.02 -26.89 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.94 -5.37 47.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.200000000000003 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm -102.28 -37.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 71.25 111.125 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.6 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.175 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.18 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.6 -22.19 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.299999999999997 111.166 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.1 t60 -55.39 -19.95 10.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.44 -17.27 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -19.05 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.329999999999998 110.961 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -23.6 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -26.04 43.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.230000000000004 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -26.72 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 71.400000000000006 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -85.6 -34.19 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.917 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -54.06 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -58.61 -21.3 53.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 74.129999999999995 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -104.28 -26.67 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.140000000000001 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.03 -71.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.912 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.97 -32.93 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -81.6 -32.37 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.219999999999999 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.857 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 73.010000000000005 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -31.22 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.911 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.01 27.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 70.040000000000006 110.953 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -61.86 -16.79 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.15 -40.15 92.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -70.06 -33.57 72.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 72.430000000000007 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 10' ' ' ILE . 6.8 mm -65.64 -34.63 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 73.310000000000002 111.146 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.5 p -44.79 -31.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.185 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.9 p -55.18 -64.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 75.230000000000004 111.162 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.527 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -79.16 -23.77 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 71.329999999999998 111.102 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 14.3 t60 -53.92 -20.92 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.858 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.1 -19.09 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 tp -118.09 -21.13 8.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 110.883 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.85 -29.9 58.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -27.32 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -65.74 -26.14 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.450000000000003 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -33.4 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.415 . . . . 71.549999999999997 110.911 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -64.14 -33.64 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.030000000000001 111.151 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.16 -37.56 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.875 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.48 -6.12 20.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -106.53 -76.0 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -52.02 -32.12 32.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -113.2 27.19 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.019999999999996 110.87 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.209999999999994 110.948 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 72.040000000000006 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -24.54 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 21.08 2.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -57.05 -20.11 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.909 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -57.91 -26.76 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -94.71 -5.07 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.349999999999994 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm -102.28 -37.62 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.101 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.145 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -50.62 72.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.329999999999998 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.53 -22.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.14 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.1 t60 -55.35 -20.01 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.837 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.3 -17.36 59.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 75.150000000000006 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 -19.06 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.956 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -26.45 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.853 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -27.78 53.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.340000000000003 110.862 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -67.92 -25.77 65.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -90.36 -33.26 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.430000000000007 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p -55.87 -37.23 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -63.17 -19.84 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.875 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -107.44 -15.87 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.65 -34.55 15.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.549999999999997 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -80.68 -26.97 37.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -33.11 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.833 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.765 0.317 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -34.26 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.68 29.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 73.310000000000002 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -65.64 -12.76 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 74.099999999999994 110.929 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.64 -32.07 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -87.13 -33.42 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 71.400000000000006 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -75.89 -35.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.209999999999994 111.158 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 13.9 t -47.67 -26.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p -56.71 -59.48 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.030000000000001 111.087 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -87.18 -22.77 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.162 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.5 t60 -55.0 -20.36 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 110.852 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.11 -17.65 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.84 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -18.48 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -7.3 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.887 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -24.97 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.889 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.39 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.53 -30.58 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -69.08 -42.88 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.118 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -64.55 -12.92 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 110.865 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -119.31 -2.04 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.9 -78.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -71.98 -33.0 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -62.27 -36.27 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.833 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.120000000000005 110.939 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 73.349999999999994 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -31.17 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.924 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.02 27.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 75.420000000000002 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -61.75 -16.88 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.87 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -60.86 -40.11 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -70.02 -33.54 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 10' ' ' ILE . 6.9 mm -65.74 -34.49 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -45.08 -31.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.019999999999996 111.127 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -55.55 -64.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.72 -24.06 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 111.171 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 16.8 t60 -54.61 -20.18 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.835 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -18.93 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.862 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -17.87 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -24.01 57.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.230000000000004 110.896 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -28.25 52.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.109999999999999 110.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -25.65 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.892 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.75 -33.69 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 72.319999999999993 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -55.88 -37.33 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.8 -21.15 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.129999999999995 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -106.11 -15.6 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.903 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.31 -34.68 15.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.953 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.26 -26.6 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.861 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -93.95 -30.17 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.420000000000002 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.879 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.707 0.289 . . . . 72.329999999999998 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -32.02 24.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 75.519999999999996 110.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.44 27.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -63.64 -15.43 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 71.519999999999996 110.92 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.07 -27.55 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.88 3.05 56.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 70.109999999999999 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm -101.81 -38.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.040000000000006 111.142 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.03 -30.16 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 73.209999999999994 111.121 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -54.21 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 72.099999999999994 111.193 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -89.44 -23.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 70.230000000000004 111.134 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 19.0 t60 -55.7 -19.17 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.884 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.17 -18.42 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.400000000000006 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -120.12 -16.17 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.913 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.874 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -25.56 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.83 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -25.75 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.01 -33.7 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.129999999999995 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.3 p -56.13 -37.56 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 111.098 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -55.7 -25.74 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.109999999999999 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -103.34 -26.04 13.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.868 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.74 -33.09 62.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -90.69 -26.1 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.855 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -31.62 30.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.846 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.756 0.312 . . . . 63.350000000000001 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -25.78 19.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 64.400000000000006 110.923 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 22.37 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 75.230000000000004 110.906 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -22.41 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 75.439999999999998 110.881 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -52.72 -40.81 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.875 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.63 -33.15 70.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 10' ' ' ILE . 7.2 mm -67.11 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 71.450000000000003 111.143 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.7 p -44.93 -31.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.400000000000006 111.159 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -55.51 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.126 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.86 -24.12 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 111.134 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 16.4 t60 -54.31 -20.53 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 110.85 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.63 -18.65 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.897 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.54 -19.47 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 72.439999999999998 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -13.75 60.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.885 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -23.14 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.899 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -24.64 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.44 -32.51 12.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.912 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -58.97 -37.38 76.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 65.25 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.92 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.540000000000006 110.852 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -105.4 -15.74 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.876 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.78 -34.72 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -86.16 -26.36 25.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -98.14 -30.74 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.030000000000001 110.854 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.93 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.779 0.323 . . . . 70.209999999999994 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.98 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 110.908 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.32 27.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 71.349999999999994 110.929 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -61.36 -17.21 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -58.66 -29.96 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 72.310000000000002 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.67 1.1 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 63.530000000000001 110.894 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.53 -38.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.135 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.3 p -48.21 -30.32 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.519999999999996 111.124 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.33 -22.64 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.400000000000006 111.111 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.824 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.430000000000007 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.94 -20.28 8.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.85 -26.1 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.319999999999993 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -56.19 -26.13 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -25.87 60.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.929 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.43 -32.83 22.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.914 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -55.72 -37.22 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 111.144 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -63.96 -16.13 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -111.05 -16.99 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.861 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -91.08 -34.62 15.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.73 -74.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.150000000000006 110.887 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 45.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.150000000000006 110.901 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.732 0.301 . . . . 73.030000000000001 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.5 -24.5 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.14 21.13 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.12 -20.04 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 73.329999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.06 -26.48 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 72.319999999999993 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.35 -5.41 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm -102.36 -37.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.219999999999999 111.127 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.51 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.46 -25.8 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 111.14 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -50.56 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.58 -22.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.114 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.1 t60 -55.36 -19.98 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 110.859 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -17.22 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.019999999999996 110.874 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.16 -19.06 7.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.956 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.54 -28.89 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -32.31 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.430000000000007 110.909 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.87 -25.56 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.936 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 -33.79 12.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.928 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.0 p -57.55 -37.18 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 70.549999999999997 111.146 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -63.67 -23.65 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.200000000000003 110.839 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.04 -13.23 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.7 tp -95.79 -24.53 16.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 70.409999999999997 110.939 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 25.01 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.874 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.721 0.296 . . . . 72.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -21.26 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.150000000000006 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.78 17.79 3.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 70.030000000000001 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -20.14 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.13 -28.66 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.67 2.2 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.540000000000006 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mm -101.64 -38.4 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 111.13 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.04 -30.28 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 63.539999999999999 111.161 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -53.9 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 111.111 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.04 -22.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.115 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.93 -20.1 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.829 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.5 -18.22 59.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -20.2 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.96 -23.9 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -26.15 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.885 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -25.38 63.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.932 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 tp -80.86 -34.54 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.219999999999999 110.925 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.8 p -54.46 -40.57 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 54.140000000000001 111.14 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.76 -19.88 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.874 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -105.9 -20.67 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.1 mt -106.6 -75.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -51.93 -33.73 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.19 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.873 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 64.209999999999994 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.86 -24.02 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 75.420000000000002 110.928 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.31 20.84 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.881 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -57.62 -19.6 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 75.099999999999994 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -58.3 -28.88 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.945 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.88 0.39 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.826 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.53 -38.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 65.439999999999998 111.116 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.1 -30.28 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.185 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -53.67 52.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.010000000000005 111.177 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.36 -22.68 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.112 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.6 t60 -54.85 -20.14 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.846 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.49 -18.18 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 72.450000000000003 110.856 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -20.26 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.88 -25.64 53.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.409999999999997 110.909 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.1 -33.23 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 75.329999999999998 110.829 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.91 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.86 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.1 tp -92.44 -34.5 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 73.510000000000005 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -60.09 -35.47 75.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -30.82 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.816 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -108.23 -26.77 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 110.866 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.86 -74.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -51.86 -34.55 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.84 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.81 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.87 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.756 0.312 . . . . 72.349999999999994 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.16 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.944 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.72 17.65 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -56.63 -20.17 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 74.5 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.09 -28.95 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 71.530000000000001 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.66 -38.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 73.230000000000004 111.187 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.11 -30.31 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.096 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -53.75 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.173 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.23 -22.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 111.116 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.91 -20.14 8.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -75.48 -18.17 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.92 -20.22 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.932 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.9 -26.08 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.902 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -32.43 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.450000000000003 110.9 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -25.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.921 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.62 -30.71 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.209999999999994 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -64.31 -37.02 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.14 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.96 -25.42 68.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 63.450000000000003 110.841 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -104.33 -10.09 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.858 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.61 -34.23 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.450000000000003 110.924 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -90.58 -26.3 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.099999999999994 110.862 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.23 -26.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 65.239999999999995 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.86 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -24.56 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 63.229999999999997 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.11 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -57.18 -19.98 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 75.349999999999994 110.928 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -58.0 -27.06 63.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 110.935 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm -102.21 -38.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 111.151 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 15.0 t -48.71 -26.56 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -51.0 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 64.310000000000002 111.11 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.06 -22.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.117 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 2.5 t60 -55.06 -20.45 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.833 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.87 -16.09 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -24.52 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.040000000000006 110.881 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -74.86 -25.9 59.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -54.66 -30.7 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -65.26 -27.49 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -32.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.959 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -64.34 -37.0 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -62.98 -25.44 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.019999999999996 110.841 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -104.29 -10.05 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.864 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.57 -34.21 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -90.83 -27.5 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -99.22 -26.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.89 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.888 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.726 0.298 . . . . 73.239999999999995 110.944 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -24.56 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.319999999999993 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.09 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.049999999999997 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -57.19 -20.0 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.05 -26.49 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.39 -5.32 46.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.895 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm -102.3 -37.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.148 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.7 t -49.07 -26.18 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.409999999999997 111.158 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -50.79 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 65.209999999999994 111.139 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.29 -22.17 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 111.104 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 2.8 t60 -55.26 -20.16 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.846 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.23 -17.39 59.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -119.27 -20.17 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.120000000000005 110.909 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -77.25 -25.64 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -57.55 -47.7 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.903 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -57.28 -23.31 47.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.883 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.64 -33.6 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.916 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -63.58 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 71.420000000000002 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -61.35 -18.05 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 73.200000000000003 110.839 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.23 -16.12 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.04 -74.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.927 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -52.33 -37.38 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -29.92 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.842 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.150000000000006 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 73.430000000000007 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.89 -24.09 17.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.23 20.86 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 110.941 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -57.66 -19.51 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 75.099999999999994 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.219999999999999 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.77 0.33 57.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 75.409999999999997 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.5 -38.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.18 -30.34 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.010000000000005 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -53.64 53.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 73.549999999999997 111.198 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.35 -22.66 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.156 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.81 -20.21 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.841 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.4 -18.24 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.88 -20.36 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 73.400000000000006 110.905 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.76 -26.13 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.861 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -56.43 -25.44 50.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.430000000000007 110.838 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -25.68 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.349999999999994 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.29 -33.71 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.310000000000002 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -51.3 -34.56 33.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.118 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -29.12 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.861 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -114.88 -25.14 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.863 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.349999999999994 110.904 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -119.65 -31.1 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -34.45 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.874 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 110.932 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -32.57 33.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.917 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.87 27.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.929 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -63.06 -15.65 57.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 74.510000000000005 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.58 -26.6 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.893 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.3 -7.16 48.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.871 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 10' ' ' ILE . 8.7 mm -88.76 -36.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.099999999999994 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -50.19 -25.91 4.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -56.17 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.1 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -85.04 -24.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 74.049999999999997 111.18 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' N ' HG12 ' A' ' 10' ' ' ILE . 21.4 t60 -55.71 -19.37 10.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -17.88 58.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 65.400000000000006 110.862 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.86 -18.64 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.9 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -25.97 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.898 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -55.85 -27.14 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 110.83 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.903 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -89.6 -33.0 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.931 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.9 p -55.84 -37.45 68.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 111.096 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -25.69 42.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.895 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -102.72 -26.26 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.540000000000006 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.32 -74.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.040000000000006 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -52.47 -33.09 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -33.22 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.439999999999998 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.906 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 72.230000000000004 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -33.37 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.19 28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -62.48 -16.06 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.120000000000005 110.96 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.94 -30.01 69.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.956 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.57 -7.19 56.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 10' ' ' ILE . 8.6 mm -89.14 -36.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 111.093 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -50.17 -25.93 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.349999999999994 111.165 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -56.19 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.476 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -85.04 -24.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 111.128 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' N ' HG12 ' A' ' 10' ' ' ILE . 21.4 t60 -55.66 -19.4 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.869 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -76.62 -17.9 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.87 -18.65 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.882 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.11 -25.21 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.230000000000004 110.927 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -54.73 -30.41 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -25.16 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.21 -33.22 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 75.120000000000005 110.949 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -55.89 -37.33 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.299999999999997 111.159 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -62.41 -22.11 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.864 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -104.99 -16.18 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 110.867 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.21 -34.81 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.94 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -87.61 -26.3 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.230000000000004 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.010000000000005 110.856 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.812 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 70.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -21.29 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 17.75 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.64 -20.14 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.010000000000005 110.926 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.11 -28.86 65.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.62 2.31 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.66 -38.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 75.230000000000004 111.204 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -47.99 -30.24 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 71.430000000000007 111.152 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -53.68 52.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.092 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.32 -22.65 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 70.530000000000001 111.178 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.7 t60 -54.94 -20.08 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 64.299999999999997 110.872 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -75.46 -18.26 59.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.95 -20.1 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.98 -19.59 57.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.833 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -58.04 -23.1 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -76.19 -17.28 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 tp -81.27 -30.05 34.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -50.37 -33.21 19.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.129 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -29.91 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 70.25 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -24.05 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 73.310000000000002 110.85 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -69.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -120.24 -31.26 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.876 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -26.42 61.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 64.319999999999993 110.847 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.519999999999996 110.879 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 73.530000000000001 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -24.07 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 110.914 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 20.86 2.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -57.63 -19.57 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.450000000000003 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -58.25 -29.15 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.9 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.6 0.36 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 71.209999999999994 110.911 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.5 -38.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.473 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.16 -30.37 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 111.168 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -53.61 53.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.179 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.33 -22.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.145 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.85 -20.16 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.400000000000006 110.89 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.98 -20.2 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.91 -26.05 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -56.16 -26.07 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.898 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -25.57 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.13 -33.33 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.4 p -55.63 -37.49 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 111.127 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.842 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -15.61 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 110.825 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.23 -34.59 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 70.329999999999998 110.921 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -92.01 -29.94 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.876 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.15 27.78 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 71.129999999999995 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.109999999999999 110.899 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 73.219999999999999 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.96 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.904 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 27.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 73.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -61.55 -17.0 53.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.120000000000005 110.885 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.03 -29.9 67.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.019999999999996 110.962 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.63 1.15 56.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 75.319999999999993 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.49 -38.02 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 72.230000000000004 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.15 -30.37 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.162 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -53.69 52.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.329999999999998 111.197 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.29 -22.66 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.157 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.484 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.84 -20.18 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.869 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -18.18 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -20.16 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.409999999999997 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.76 -23.17 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 55.340000000000003 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -55.95 -24.72 39.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -14.71 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.91 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 -46.42 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.409999999999997 110.873 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.174 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.51 60.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.430000000000007 110.87 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -19.31 65.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.5 -55.93 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 110.937 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.51 -34.53 50.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -67.29 -32.6 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.921 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.308 . . . . 75.109999999999999 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.52 19.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 21.17 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.925 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -57.21 -19.94 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 70.129999999999995 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.02 -26.89 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.94 -5.37 47.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.200000000000003 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm -102.28 -37.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 71.25 111.125 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.6 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.175 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.18 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.6 -22.19 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.299999999999997 111.166 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.1 t60 -55.39 -19.95 10.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.44 -17.27 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -19.05 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.329999999999998 110.961 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -23.6 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -26.04 43.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.230000000000004 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -26.72 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 71.400000000000006 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -85.6 -34.19 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.917 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -54.06 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -58.61 -21.3 53.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 74.129999999999995 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -104.28 -26.67 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.140000000000001 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.03 -71.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.912 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.97 -32.93 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -81.6 -32.37 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.219999999999999 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.857 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 73.010000000000005 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -31.22 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.911 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.01 27.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 70.040000000000006 110.953 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -61.86 -16.79 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.854 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.15 -40.15 92.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -70.06 -33.57 72.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 72.430000000000007 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 10' ' ' ILE . 6.8 mm -65.64 -34.63 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 73.310000000000002 111.146 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.5 p -44.79 -31.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.185 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.9 p -55.18 -64.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 75.230000000000004 111.162 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.527 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -79.16 -23.77 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 71.329999999999998 111.102 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 14.3 t60 -53.92 -20.92 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.858 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.1 -19.09 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 tp -118.09 -21.13 8.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 110.883 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.85 -29.9 58.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -27.32 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -65.74 -26.14 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.450000000000003 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -33.4 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.415 . . . . 71.549999999999997 110.911 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -64.14 -33.64 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.030000000000001 111.151 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.16 -37.56 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.875 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.48 -6.12 20.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -106.53 -76.0 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -52.02 -32.12 32.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -113.2 27.19 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.019999999999996 110.87 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.209999999999994 110.948 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 72.040000000000006 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -24.54 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 21.08 2.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -57.05 -20.11 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.909 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -57.91 -26.76 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -94.71 -5.07 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.349999999999994 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm -102.28 -37.62 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.101 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.145 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -50.62 72.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.329999999999998 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.53 -22.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.14 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.1 t60 -55.35 -20.01 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.837 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.3 -17.36 59.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 75.150000000000006 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 -19.06 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.956 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -26.45 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.853 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -27.78 53.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.340000000000003 110.862 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -67.92 -25.77 65.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -90.36 -33.26 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.430000000000007 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p -55.87 -37.23 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -63.17 -19.84 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.875 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -107.44 -15.87 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.65 -34.55 15.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.549999999999997 110.914 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -80.68 -26.97 37.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -33.11 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.833 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.765 0.317 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -34.26 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.68 29.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 73.310000000000002 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -65.64 -12.76 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 74.099999999999994 110.929 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.64 -32.07 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -87.13 -33.42 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 71.400000000000006 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -75.89 -35.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.209999999999994 111.158 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 13.9 t -47.67 -26.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p -56.71 -59.48 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.030000000000001 111.087 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -87.18 -22.77 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.162 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.5 t60 -55.0 -20.36 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 110.852 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.11 -17.65 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.84 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -18.48 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -7.3 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.887 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -24.97 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.889 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.39 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 71.25 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.53 -30.58 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -69.08 -42.88 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.118 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -64.55 -12.92 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 110.865 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -119.31 -2.04 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.9 -78.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -71.98 -33.0 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -62.27 -36.27 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.833 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.120000000000005 110.939 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 73.349999999999994 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -31.17 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.924 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.02 27.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 75.420000000000002 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -61.75 -16.88 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.87 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -60.86 -40.11 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -70.02 -33.54 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 10' ' ' ILE . 6.9 mm -65.74 -34.49 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -45.08 -31.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.019999999999996 111.127 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -55.55 -64.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.72 -24.06 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 111.171 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 16.8 t60 -54.61 -20.18 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.835 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -18.93 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.862 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -17.87 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -24.01 57.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.230000000000004 110.896 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -28.25 52.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.109999999999999 110.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -25.65 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.892 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.75 -33.69 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 72.319999999999993 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -55.88 -37.33 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.8 -21.15 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.129999999999995 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -106.11 -15.6 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.903 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.31 -34.68 15.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.953 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.26 -26.6 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.861 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -93.95 -30.17 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.420000000000002 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.879 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.707 0.289 . . . . 72.329999999999998 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -32.02 24.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 75.519999999999996 110.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.44 27.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -63.64 -15.43 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 71.519999999999996 110.92 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.07 -27.55 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.88 3.05 56.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 70.109999999999999 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm -101.81 -38.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.040000000000006 111.142 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.03 -30.16 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 73.209999999999994 111.121 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -54.21 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 72.099999999999994 111.193 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -89.44 -23.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 70.230000000000004 111.134 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 19.0 t60 -55.7 -19.17 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.884 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.17 -18.42 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.400000000000006 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -120.12 -16.17 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.913 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.874 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -25.56 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.83 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -25.75 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.01 -33.7 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.129999999999995 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.3 p -56.13 -37.56 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 111.098 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -55.7 -25.74 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.109999999999999 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -103.34 -26.04 13.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.868 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.74 -33.09 62.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -90.69 -26.1 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.855 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -31.62 30.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.846 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.756 0.312 . . . . 63.350000000000001 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -25.78 19.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 64.400000000000006 110.923 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 22.37 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 75.230000000000004 110.906 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -22.41 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 75.439999999999998 110.881 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -52.72 -40.81 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.875 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.63 -33.15 70.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 10' ' ' ILE . 7.2 mm -67.11 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 71.450000000000003 111.143 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.7 p -44.93 -31.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.400000000000006 111.159 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -55.51 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.126 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.86 -24.12 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 111.134 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 16.4 t60 -54.31 -20.53 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 110.85 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.63 -18.65 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.897 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.54 -19.47 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 72.439999999999998 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -13.75 60.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.885 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -23.14 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.899 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -24.64 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.44 -32.51 12.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.912 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -58.97 -37.38 76.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 65.25 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.92 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.540000000000006 110.852 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -105.4 -15.74 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.876 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.78 -34.72 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -86.16 -26.36 25.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -98.14 -30.74 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.030000000000001 110.854 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.93 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.779 0.323 . . . . 70.209999999999994 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.98 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 110.908 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.32 27.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 71.349999999999994 110.929 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -61.36 -17.21 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -58.66 -29.96 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 72.310000000000002 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.67 1.1 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 63.530000000000001 110.894 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.53 -38.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.135 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.3 p -48.21 -30.32 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.519999999999996 111.124 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.33 -22.64 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.400000000000006 111.111 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.824 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.430000000000007 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.94 -20.28 8.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.85 -26.1 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.319999999999993 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -56.19 -26.13 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -25.87 60.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.929 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.43 -32.83 22.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.914 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -55.72 -37.22 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 111.144 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -63.96 -16.13 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -111.05 -16.99 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.861 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -91.08 -34.62 15.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.73 -74.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.150000000000006 110.887 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 45.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.150000000000006 110.901 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.732 0.301 . . . . 73.030000000000001 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.5 -24.5 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.14 21.13 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.12 -20.04 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 73.329999999999998 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.06 -26.48 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 72.319999999999993 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.35 -5.41 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm -102.36 -37.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.219999999999999 111.127 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.51 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.46 -25.8 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 111.14 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -50.56 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.58 -22.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.114 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 3.1 t60 -55.36 -19.98 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 110.859 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -17.22 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.019999999999996 110.874 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.16 -19.06 7.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.956 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.54 -28.89 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -32.31 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.430000000000007 110.909 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.87 -25.56 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.936 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 -33.79 12.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.928 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.0 p -57.55 -37.18 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 70.549999999999997 111.146 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -63.67 -23.65 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.200000000000003 110.839 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.04 -13.23 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.7 tp -95.79 -24.53 16.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 70.409999999999997 110.939 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 25.01 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.874 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.721 0.296 . . . . 72.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -21.26 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.150000000000006 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.78 17.79 3.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 70.030000000000001 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -20.14 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.13 -28.66 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.67 2.2 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.540000000000006 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mm -101.64 -38.4 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 111.13 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.04 -30.28 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 63.539999999999999 111.161 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.04 -53.9 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 111.111 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.04 -22.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.115 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.93 -20.1 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.829 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.5 -18.22 59.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -20.2 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.96 -23.9 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -26.15 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.885 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -25.38 63.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.932 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.7 tp -80.86 -34.54 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.219999999999999 110.925 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.8 p -54.46 -40.57 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 54.140000000000001 111.14 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.76 -19.88 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.874 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -105.9 -20.67 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.1 mt -106.6 -75.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -51.93 -33.73 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.19 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.873 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 64.209999999999994 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.86 -24.02 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 75.420000000000002 110.928 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.31 20.84 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.881 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -57.62 -19.6 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 75.099999999999994 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -58.3 -28.88 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.945 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.88 0.39 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.826 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.53 -38.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 65.439999999999998 111.116 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.1 -30.28 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.185 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -53.67 52.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.010000000000005 111.177 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.36 -22.68 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.112 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.6 t60 -54.85 -20.14 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.846 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.49 -18.18 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 72.450000000000003 110.856 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -20.26 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.88 -25.64 53.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 70.409999999999997 110.909 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.1 -33.23 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 75.329999999999998 110.829 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.91 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.86 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.1 tp -92.44 -34.5 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 73.510000000000005 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -60.09 -35.47 75.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -30.82 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.816 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -108.23 -26.77 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.439999999999998 110.866 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.86 -74.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -51.86 -34.55 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.84 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.81 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.87 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.756 0.312 . . . . 72.349999999999994 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.16 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.944 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.72 17.65 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -56.63 -20.17 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 74.5 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.09 -28.95 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 71.530000000000001 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.66 -38.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 73.230000000000004 111.187 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.11 -30.31 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.096 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -53.75 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.173 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.23 -22.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 111.116 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.91 -20.14 8.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -75.48 -18.17 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.92 -20.22 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.932 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.9 -26.08 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.902 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -32.43 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.450000000000003 110.9 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -25.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.921 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.62 -30.71 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.209999999999994 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -64.31 -37.02 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.14 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.96 -25.42 68.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 63.450000000000003 110.841 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -104.33 -10.09 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.858 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.61 -34.23 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.450000000000003 110.924 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -90.58 -26.3 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.099999999999994 110.862 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.23 -26.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 65.239999999999995 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.86 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -24.56 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 63.229999999999997 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.11 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -57.18 -19.98 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 75.349999999999994 110.928 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -58.0 -27.06 63.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 110.935 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm -102.21 -38.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 111.151 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 15.0 t -48.71 -26.56 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -51.0 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 64.310000000000002 111.11 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.06 -22.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.117 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 2.5 t60 -55.06 -20.45 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.833 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.87 -16.09 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -24.52 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.040000000000006 110.881 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -74.86 -25.9 59.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -54.66 -30.7 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -65.26 -27.49 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -32.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.959 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -64.34 -37.0 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -62.98 -25.44 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.019999999999996 110.841 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -104.29 -10.05 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.864 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.57 -34.21 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 110.882 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -90.83 -27.5 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -99.22 -26.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.89 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.888 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.726 0.298 . . . . 73.239999999999995 110.944 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -24.56 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.319999999999993 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.09 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.049999999999997 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -57.19 -20.0 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.05 -26.49 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.39 -5.32 46.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.895 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm -102.3 -37.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.148 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.7 t -49.07 -26.18 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 70.409999999999997 111.158 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 -50.79 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 65.209999999999994 111.139 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -96.29 -22.17 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 111.104 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 2.8 t60 -55.26 -20.16 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.846 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.23 -17.39 59.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -119.27 -20.17 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.120000000000005 110.909 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -77.25 -25.64 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -57.55 -47.7 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.903 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -57.28 -23.31 47.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.883 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.1 tp -83.64 -33.6 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.916 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -63.58 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 71.420000000000002 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -61.35 -18.05 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 73.200000000000003 110.839 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.23 -16.12 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.04 -74.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.927 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -52.33 -37.38 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -29.92 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.842 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.150000000000006 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 73.430000000000007 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.89 -24.09 17.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.23 20.86 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 110.941 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -57.66 -19.51 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 75.099999999999994 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.219999999999999 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.77 0.33 57.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 75.409999999999997 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.5 -38.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.18 -30.34 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.010000000000005 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -53.64 53.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 73.549999999999997 111.198 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.35 -22.66 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.156 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.81 -20.21 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.841 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.4 -18.24 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.88 -20.36 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 73.400000000000006 110.905 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.76 -26.13 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.861 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -56.43 -25.44 50.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.430000000000007 110.838 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -25.68 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.349999999999994 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.29 -33.71 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.310000000000002 110.905 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -51.3 -34.56 33.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.118 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -29.12 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.861 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -114.88 -25.14 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.863 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.349999999999994 110.904 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -119.65 -31.1 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 74.510000000000005 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -34.45 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.874 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 110.932 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -32.57 33.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.917 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.87 27.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.929 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -63.06 -15.65 57.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 74.510000000000005 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.58 -26.6 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.893 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.3 -7.16 48.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.871 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 10' ' ' ILE . 8.7 mm -88.76 -36.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.099999999999994 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -50.19 -25.91 4.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -56.17 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.1 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -85.04 -24.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 74.049999999999997 111.18 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' N ' HG12 ' A' ' 10' ' ' ILE . 21.4 t60 -55.71 -19.37 10.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -17.88 58.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 65.400000000000006 110.862 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.86 -18.64 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.9 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -25.97 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.898 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -55.85 -27.14 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 110.83 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.903 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -89.6 -33.0 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.931 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.9 p -55.84 -37.45 68.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 111.096 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -25.69 42.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.895 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -102.72 -26.26 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.540000000000006 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.32 -74.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.040000000000006 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -52.47 -33.09 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -33.22 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.439999999999998 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.906 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 72.230000000000004 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -33.37 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.19 28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -62.48 -16.06 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.120000000000005 110.96 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.94 -30.01 69.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.956 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.57 -7.19 56.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 10' ' ' ILE . 8.6 mm -89.14 -36.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 111.093 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -50.17 -25.93 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.349999999999994 111.165 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -56.19 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.137 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.476 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -85.04 -24.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 111.128 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' N ' HG12 ' A' ' 10' ' ' ILE . 21.4 t60 -55.66 -19.4 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.869 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -76.62 -17.9 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.87 -18.65 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.882 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.11 -25.21 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.230000000000004 110.927 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -54.73 -30.41 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -25.16 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.21 -33.22 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 75.120000000000005 110.949 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -55.89 -37.33 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.299999999999997 111.159 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -62.41 -22.11 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.864 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -104.99 -16.18 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 110.867 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.21 -34.81 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.94 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -87.61 -26.3 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.230000000000004 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.010000000000005 110.856 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.812 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 70.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -21.29 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 17.75 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.64 -20.14 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.010000000000005 110.926 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.11 -28.86 65.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.62 2.31 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.66 -38.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 75.230000000000004 111.204 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -47.99 -30.24 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 71.430000000000007 111.152 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -53.68 52.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.092 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.32 -22.65 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 70.530000000000001 111.178 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.7 t60 -54.94 -20.08 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 64.299999999999997 110.872 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -75.46 -18.26 59.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.95 -20.1 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.98 -19.59 57.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.833 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -58.04 -23.1 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -76.19 -17.28 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 tp -81.27 -30.05 34.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -50.37 -33.21 19.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.129 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -29.91 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 70.25 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -24.05 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 73.310000000000002 110.85 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -69.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -120.24 -31.26 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.876 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -26.42 61.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 64.319999999999993 110.847 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.519999999999996 110.879 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 73.530000000000001 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -24.07 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 110.914 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 20.86 2.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -57.63 -19.57 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.450000000000003 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -58.25 -29.15 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.9 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.6 0.36 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 71.209999999999994 110.911 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.5 -38.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.136 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.473 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.16 -30.37 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 111.168 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -53.61 53.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.179 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.33 -22.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.145 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.85 -20.16 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.400000000000006 110.89 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.98 -20.2 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.91 -26.05 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -56.16 -26.07 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.898 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -25.57 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.13 -33.33 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.4 p -55.63 -37.49 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.310000000000002 111.127 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.842 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -15.61 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 110.825 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.23 -34.59 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 70.329999999999998 110.921 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -92.01 -29.94 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.876 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.15 27.78 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 71.129999999999995 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.109999999999999 110.899 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 73.219999999999999 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.96 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.904 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 27.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 73.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -61.55 -17.0 53.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.120000000000005 110.885 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.03 -29.9 67.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.019999999999996 110.962 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.63 1.15 56.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 75.319999999999993 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -101.49 -38.02 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 72.230000000000004 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.15 -30.37 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.162 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -53.69 52.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 74.329999999999998 111.197 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -90.29 -22.66 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.157 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.484 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.84 -20.18 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.869 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -18.18 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -20.16 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.409999999999997 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.76 -23.17 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 55.340000000000003 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -55.95 -24.72 39.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -14.71 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.91 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 -46.42 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.409999999999997 110.873 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.174 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.51 60.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.430000000000007 110.87 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -19.31 65.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.5 -55.93 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.530000000000001 110.937 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.51 -34.53 50.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -67.29 -32.6 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.921 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.308 . . . . 75.109999999999999 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.52 19.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 21.17 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.925 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -57.21 -19.94 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.420000000000002 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.02 -26.89 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.94 -5.37 47.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 61.229999999999997 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.28 -37.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 64.140000000000001 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.6 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.175 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.605 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.18 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.6 -22.19 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.166 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.557 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.39 -19.95 10.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.44 -17.27 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -19.05 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 62.310000000000002 110.961 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -23.6 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -26.04 43.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.219999999999999 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -26.72 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.030000000000001 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -85.6 -34.19 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 110.917 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -54.06 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -58.61 -21.3 53.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 74.129999999999995 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -104.28 -26.67 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.03 -71.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.912 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.97 -32.93 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -81.6 -32.37 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.310000000000002 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.857 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 73.010000000000005 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -31.22 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.911 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.01 27.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 65.010000000000005 110.953 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 32.6 tttp -61.86 -16.79 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.854 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.15 -40.15 92.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -70.06 -33.57 72.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 64.329999999999998 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.8 mm -65.64 -34.63 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.040000000000006 111.146 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.5 p -44.79 -31.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.185 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.9 p -55.18 -64.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 65.299999999999997 111.162 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -79.16 -23.77 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 111.102 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.551 ' HB2' HG22 ' A' ' 7' ' ' ILE . 14.3 t60 -53.92 -20.92 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.329999999999998 110.858 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.1 -19.09 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 tp -118.09 -21.13 8.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 110.883 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.85 -29.9 58.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -27.32 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -65.74 -26.14 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.430000000000007 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -33.4 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.415 . . . . 70.329999999999998 110.911 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -64.14 -33.64 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.151 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.16 -37.56 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 71.129999999999995 110.875 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.48 -6.12 20.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -106.53 -76.0 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -52.02 -32.12 32.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -113.2 27.19 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.87 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.948 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 71.310000000000002 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -24.54 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 21.08 2.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -57.05 -20.11 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.909 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -57.91 -26.76 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -94.71 -5.07 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.349999999999994 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.28 -37.62 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.145 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.36 -50.62 72.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 111.158 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.53 -22.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 111.14 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.549 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.35 -20.01 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.150000000000006 110.837 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.3 -17.36 59.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 75.150000000000006 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 -19.06 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.956 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -26.45 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.853 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -27.78 53.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.862 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -67.92 -25.77 65.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -90.36 -33.26 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 64.049999999999997 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p -55.87 -37.23 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -63.17 -19.84 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.875 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -107.44 -15.87 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.65 -34.55 15.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -80.68 -26.97 37.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -33.11 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.833 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.765 0.317 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -34.26 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.68 29.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 64.230000000000004 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -65.64 -12.76 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 71.200000000000003 110.929 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' THR . 10.7 m-85 -66.64 -32.07 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.909 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -87.13 -33.42 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 71.239999999999995 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.7 mm -75.89 -35.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.109999999999999 111.158 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' TYR . 13.9 t -47.67 -26.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p -56.71 -59.48 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.030000000000001 111.087 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -87.18 -22.77 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.162 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.565 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.5 t60 -55.0 -20.36 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 110.852 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -76.11 -17.65 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.84 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -18.48 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -76.63 -7.3 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.887 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -24.97 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.889 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.39 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 65.150000000000006 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.53 -30.58 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.219999999999999 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 14' ' ' PHE . 11.7 p -69.08 -42.88 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.118 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -64.55 -12.92 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 110.865 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -119.31 -2.04 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.9 -78.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -71.98 -33.0 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -62.27 -36.27 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.239999999999995 110.833 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.120000000000005 110.939 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 73.349999999999994 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -31.17 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.924 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.02 27.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 72.439999999999998 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' THR . 14.1 tttt -61.75 -16.88 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.340000000000003 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -60.86 -40.11 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -70.02 -33.54 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.9 mm -65.74 -34.49 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -45.08 -31.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 111.127 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -55.55 -64.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.72 -24.06 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.171 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.8 t60 -54.61 -20.18 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.835 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -18.93 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.862 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -17.87 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -24.01 57.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.896 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -28.25 52.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.109999999999999 110.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -25.65 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.099999999999994 110.892 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.75 -33.69 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.430000000000007 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -55.88 -37.33 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 53.210000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.8 -21.15 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.129999999999995 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -106.11 -15.6 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 70.129999999999995 110.903 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.31 -34.68 15.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.953 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.26 -26.6 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.861 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -93.95 -30.17 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 65.349999999999994 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.879 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.707 0.289 . . . . 62.43 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -32.02 24.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 75.519999999999996 110.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.44 27.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -63.64 -15.43 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 65.340000000000003 110.92 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.07 -27.55 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.88 3.05 56.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 70.109999999999999 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.9 mm -101.81 -38.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.040000000000006 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.03 -30.16 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 60.119999999999997 111.121 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.29 -54.21 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 63.329999999999998 111.193 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -89.44 -23.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.019999999999996 111.134 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 19.0 t60 -55.7 -19.17 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.884 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.17 -18.42 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 14' ' ' PHE . 2.5 pp -120.12 -16.17 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.913 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.874 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -25.56 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.83 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -25.75 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 65.150000000000006 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 21' ' ' LEU . 14.7 tp -83.01 -33.7 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' HD12 ' A' ' 21' ' ' LEU . 58.3 p -56.13 -37.56 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -55.7 -25.74 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.109999999999999 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -103.34 -26.04 13.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 110.868 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.855 HD11 HD23 ' A' ' 17' ' ' LEU . 15.4 mt -74.74 -33.09 62.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 62.530000000000001 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -90.69 -26.1 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 110.855 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -31.62 30.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.846 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.756 0.312 . . . . 63.350000000000001 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -25.78 19.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 64.400000000000006 110.923 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 22.37 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 74.439999999999998 110.906 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -54.99 -22.41 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 73.400000000000006 110.881 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -52.72 -40.81 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.875 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.63 -33.15 70.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HD13 ' A' ' 10' ' ' ILE . 7.2 mm -67.11 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 53.009999999999998 111.143 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.7 p -44.93 -31.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 63.130000000000003 111.159 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -55.51 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.126 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.86 -24.12 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 111.134 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.4 t60 -54.31 -20.53 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.140000000000001 110.85 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.63 -18.65 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 110.897 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.54 -19.47 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 55.25 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -13.75 60.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.885 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -23.14 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.899 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -24.64 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.44 -32.51 12.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.912 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -58.97 -37.38 76.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 65.25 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.92 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.852 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -105.4 -15.74 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 70.329999999999998 110.876 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.78 -34.72 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -86.16 -26.36 25.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -98.14 -30.74 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.854 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.93 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.779 0.323 . . . . 65.319999999999993 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.98 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.908 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.32 27.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 62.020000000000003 110.929 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -61.36 -17.21 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.549999999999997 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -58.66 -29.96 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 63.130000000000003 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.67 1.1 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 63.530000000000001 110.894 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.3 p -48.21 -30.32 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.519999999999996 111.124 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 111.15 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.64 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.400000000000006 111.111 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.824 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.94 -20.28 8.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 63.549999999999997 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.85 -26.1 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -56.19 -26.13 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -25.87 60.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.929 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.43 -32.83 22.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.914 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -55.72 -37.22 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 111.144 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -63.96 -16.13 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -111.05 -16.99 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.861 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -91.08 -34.62 15.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.963 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.73 -74.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.150000000000006 110.887 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 45.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.150000000000006 110.901 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.732 0.301 . . . . 61.329999999999998 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.5 -24.5 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.14 21.13 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.12 -20.04 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 72.120000000000005 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.06 -26.48 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 72.010000000000005 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.35 -5.41 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.725 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.36 -37.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.530000000000001 111.127 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.46 -25.8 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 111.14 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.38 -50.56 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.146 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.58 -22.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 111.114 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.36 -19.98 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.140000000000001 110.859 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -17.22 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 110.874 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.16 -19.06 7.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.956 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.54 -28.89 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -32.31 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 110.909 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.87 -25.56 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.936 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 -33.79 12.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.928 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.0 p -57.55 -37.18 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 70.549999999999997 111.146 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -63.67 -23.65 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.240000000000002 110.839 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.04 -13.23 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 44.130000000000003 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.7 tp -95.79 -24.53 16.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.130000000000003 110.939 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 25.01 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.874 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.721 0.296 . . . . 71.310000000000002 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -21.26 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.78 17.79 3.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 70.030000000000001 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -20.14 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.25 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.13 -28.66 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 70.510000000000005 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.67 2.2 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 62.210000000000001 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.758 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.2 mm -101.64 -38.4 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 54.25 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.04 -30.28 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 63.310000000000002 111.161 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.04 -53.9 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.111 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.758 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.04 -22.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.115 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.93 -20.1 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.829 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.5 -18.22 59.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -20.2 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.96 -23.9 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -26.15 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.885 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -25.38 63.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.932 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.57 ' CD2' HD12 ' A' ' 21' ' ' LEU . 12.7 tp -80.86 -34.54 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.8 p -54.46 -40.57 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 51.509999999999998 111.14 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.76 -19.88 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.874 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -105.9 -20.67 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 17' ' ' LEU . 14.1 mt -106.6 -75.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.956 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -51.93 -33.73 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.19 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 63.340000000000003 110.873 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 60.100000000000001 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.86 -24.02 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.409999999999997 110.928 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.31 20.84 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.881 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -57.62 -19.6 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 75.099999999999994 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -58.3 -28.88 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.945 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.88 0.39 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.826 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 111.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.1 -30.28 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.185 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.57 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.07 -53.67 52.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 111.177 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.36 -22.68 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.112 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.6 t60 -54.85 -20.14 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.846 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.49 -18.18 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 72.450000000000003 110.856 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -20.26 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 40.340000000000003 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.88 -25.64 53.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 60.340000000000003 110.909 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.1 -33.23 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 73.510000000000005 110.829 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.91 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.86 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.1 tp -92.44 -34.5 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 73.510000000000005 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -60.09 -35.47 75.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -30.82 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.816 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -108.23 -26.77 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 62.009999999999998 110.866 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.86 -74.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -51.86 -34.55 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.84 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.81 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.87 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.756 0.312 . . . . 63.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.16 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.944 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.72 17.65 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -56.63 -20.17 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 74.5 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.09 -28.95 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 71.530000000000001 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.757 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.3 mm -101.66 -38.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 60.299999999999997 111.187 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.498 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.11 -30.31 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.096 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.0 -53.75 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.173 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.23 -22.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 111.116 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.91 -20.14 8.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -75.48 -18.17 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.92 -20.22 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.932 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.9 -26.08 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.902 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -32.43 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.450000000000003 110.9 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -25.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.921 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.62 -30.71 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.019999999999996 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -64.31 -37.02 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.14 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.96 -25.42 68.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 63.119999999999997 110.841 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -104.33 -10.09 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.858 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.61 -34.23 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -90.58 -26.3 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.420000000000002 110.862 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.23 -26.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 62.450000000000003 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.86 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -24.56 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 63.229999999999997 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.11 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -57.18 -19.98 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 54.43 110.928 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -58.0 -27.06 63.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 110.935 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.737 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.21 -38.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 111.151 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.533 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 15.0 t -48.71 -26.56 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -56.59 -51.0 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 63.130000000000003 111.11 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.06 -22.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.117 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.542 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.5 t60 -55.06 -20.45 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.833 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.87 -16.09 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -119.26 -24.52 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 45.409999999999997 110.881 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.539 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.9 m-85 -74.86 -25.9 59.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.240000000000002 110.85 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -54.66 -30.7 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -65.26 -27.49 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -32.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.959 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -64.34 -37.0 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -62.98 -25.44 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.019999999999996 110.841 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -104.29 -10.05 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.400000000000006 110.864 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.57 -34.21 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.340000000000003 110.882 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -90.83 -27.5 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -99.22 -26.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.89 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.888 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.726 0.298 . . . . 73.239999999999995 110.944 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -24.56 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.019999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.09 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 74.299999999999997 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -57.19 -20.0 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.05 -26.49 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.310000000000002 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.39 -5.32 46.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.895 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.3 -37.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.148 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.7 t -49.07 -26.18 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.450000000000003 111.158 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.05 -50.79 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 65.209999999999994 111.139 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.29 -22.17 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.104 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.8 t60 -55.26 -20.16 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.846 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.23 -17.39 59.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -119.27 -20.17 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.120000000000005 110.909 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 18' ' ' THR . 1.1 m-85 -77.25 -25.64 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.855 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -57.55 -47.7 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.903 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -57.28 -23.31 47.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 53.130000000000003 110.883 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' HG ' HD12 ' A' ' 21' ' ' LEU . 23.1 tp -83.64 -33.6 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 14' ' ' PHE . 21.1 p -63.58 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 34.229999999999997 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -61.35 -18.05 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 110.839 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.23 -16.12 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.625 HD12 ' HG ' ' A' ' 17' ' ' LEU . 15.3 mt -112.04 -74.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.927 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -52.33 -37.38 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -29.92 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.842 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 55.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 73.349999999999994 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.89 -24.09 17.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.23 20.86 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.941 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -57.66 -19.51 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.77 0.33 57.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 62.340000000000003 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.5 mm -101.5 -38.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 61.219999999999999 111.137 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.18 -30.34 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 55.149999999999999 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.64 53.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.119999999999997 111.198 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -22.66 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.156 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.81 -20.21 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.841 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.4 -18.24 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.88 -20.36 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 70.209999999999994 110.905 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.76 -26.13 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.861 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -56.43 -25.44 50.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.838 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -25.68 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 63.219999999999999 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' HG ' HD12 ' A' ' 21' ' ' LEU . 35.2 tp -88.29 -33.71 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.905 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.409 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 70.9 p -51.3 -34.56 33.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.118 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -29.12 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.861 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -114.88 -25.14 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.863 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.904 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -119.65 -31.1 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -34.45 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.874 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 110.932 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -32.57 33.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.917 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.87 27.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.929 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -63.06 -15.65 57.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.130000000000003 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.58 -26.6 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.893 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.3 -7.16 48.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 110.871 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.7 mm -88.76 -36.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.19 -25.91 4.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.13 -56.17 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.1 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 111.18 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.71 -19.37 10.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -17.88 58.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.862 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.86 -18.64 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.9 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -25.97 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.439999999999998 110.898 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -55.85 -27.14 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.83 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.903 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.702 HD23 HD11 ' A' ' 21' ' ' LEU . 14.6 tp -89.6 -33.0 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 21' ' ' LEU . 59.9 p -55.84 -37.45 68.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 111.096 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -25.69 42.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.895 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -102.72 -26.26 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.540000000000006 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD23 ' A' ' 17' ' ' LEU . 16.6 mt -69.32 -74.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.911 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -52.47 -33.09 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -33.22 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.409999999999997 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.906 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 64.409999999999997 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -33.37 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.19 28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -62.48 -16.06 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 71.319999999999993 110.96 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.94 -30.01 69.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.956 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.57 -7.19 56.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.736 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.6 mm -89.14 -36.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 72.109999999999999 111.093 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.17 -25.93 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.349999999999994 111.165 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.09 -56.19 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.137 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.239999999999995 111.128 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.66 -19.4 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.869 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -76.62 -17.9 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.87 -18.65 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 54.149999999999999 110.882 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.11 -25.21 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.230000000000004 110.927 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -54.73 -30.41 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -25.16 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.21 -33.22 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 64.409999999999997 110.949 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -55.89 -37.33 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 111.159 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -62.41 -22.11 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.864 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -104.99 -16.18 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 110.867 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.21 -34.81 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.94 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -87.61 -26.3 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 70.310000000000002 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.010000000000005 110.856 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.019999999999996 110.812 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 70.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -21.29 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 65.329999999999998 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 17.75 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.64 -20.14 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.010000000000005 110.926 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.11 -28.86 65.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.150000000000006 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.62 2.31 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.66 -38.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.530000000000001 111.204 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -47.99 -30.24 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 70.200000000000003 111.152 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.14 -53.68 52.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.092 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.32 -22.65 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 54.539999999999999 111.178 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.7 t60 -54.94 -20.08 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 60.420000000000002 110.872 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -75.46 -18.26 59.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.95 -20.1 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.98 -19.59 57.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.833 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -58.04 -23.1 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -76.19 -17.28 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD23 HD12 ' A' ' 21' ' ' LEU . 37.4 tp -81.27 -30.05 34.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.919 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 p -50.37 -33.21 19.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.129 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -29.91 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 70.25 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -24.05 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.85 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -56.92 -69.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.945 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -120.24 -31.26 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.876 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -26.42 61.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 50.049999999999997 110.847 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.120000000000005 110.879 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 70.519999999999996 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -24.07 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.914 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 20.86 2.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -57.63 -19.57 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 73.219999999999999 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -58.25 -29.15 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.229999999999997 110.9 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.6 0.36 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 71.209999999999994 110.911 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.5 -38.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.136 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.16 -30.37 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 111.168 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.61 53.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.179 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.145 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.85 -20.16 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.120000000000005 110.89 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 63.439999999999998 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.98 -20.2 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.91 -26.05 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -56.16 -26.07 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.898 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -25.57 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.13 -33.33 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.4 p -55.63 -37.49 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.127 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.842 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -15.61 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.150000000000006 110.825 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.23 -34.59 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 62.240000000000002 110.921 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -92.01 -29.94 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.876 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.15 27.78 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 62.030000000000001 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.899 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.96 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 73.030000000000001 110.904 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 27.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 70.349999999999994 110.892 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -61.55 -17.0 53.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.120000000000005 110.885 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.03 -29.9 67.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.962 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.63 1.15 56.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 75.319999999999993 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.74 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.49 -38.02 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 63.539999999999999 111.123 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.15 -30.37 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.162 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.69 52.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 111.197 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.29 -22.66 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.157 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.84 -20.18 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.869 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -18.18 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -20.16 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.310000000000002 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.76 -23.17 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 54.109999999999999 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -55.95 -24.72 39.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -14.71 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.140000000000001 110.91 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 -46.42 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.873 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.209999999999994 111.174 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.51 60.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.87 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -19.31 65.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.5 -55.93 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.937 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.51 -34.53 50.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -67.29 -32.6 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.921 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.308 . . . . 75.109999999999999 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.52 19.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 21.17 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.925 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -57.21 -19.94 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.420000000000002 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.02 -26.89 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.94 -5.37 47.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 61.229999999999997 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.28 -37.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 64.140000000000001 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.6 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.175 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.605 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.18 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.6 -22.19 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.166 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.557 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.39 -19.95 10.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.44 -17.27 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -19.05 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 62.310000000000002 110.961 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -23.6 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -26.04 43.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.219999999999999 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -26.72 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.030000000000001 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -85.6 -34.19 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 110.917 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -54.06 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -58.61 -21.3 53.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 74.129999999999995 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -104.28 -26.67 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.03 -71.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.912 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.97 -32.93 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -81.6 -32.37 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.310000000000002 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.857 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 73.010000000000005 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -31.22 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.911 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.01 27.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 65.010000000000005 110.953 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 32.6 tttp -61.86 -16.79 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.854 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.15 -40.15 92.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -70.06 -33.57 72.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 64.329999999999998 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.8 mm -65.64 -34.63 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.040000000000006 111.146 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.5 p -44.79 -31.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.185 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.9 p -55.18 -64.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 65.299999999999997 111.162 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -79.16 -23.77 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 111.102 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.551 ' HB2' HG22 ' A' ' 7' ' ' ILE . 14.3 t60 -53.92 -20.92 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.329999999999998 110.858 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.1 -19.09 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 tp -118.09 -21.13 8.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 110.883 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.85 -29.9 58.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -27.32 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -65.74 -26.14 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.430000000000007 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -33.4 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.415 . . . . 70.329999999999998 110.911 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -64.14 -33.64 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.151 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.16 -37.56 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 71.129999999999995 110.875 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.48 -6.12 20.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -106.53 -76.0 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -52.02 -32.12 32.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -113.2 27.19 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.87 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.948 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 71.310000000000002 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -24.54 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 21.08 2.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -57.05 -20.11 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.909 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -57.91 -26.76 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -94.71 -5.07 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.349999999999994 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.28 -37.62 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.145 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.36 -50.62 72.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 111.158 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.53 -22.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 111.14 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.549 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.35 -20.01 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.150000000000006 110.837 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.3 -17.36 59.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 75.150000000000006 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 -19.06 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.956 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -26.45 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.853 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -27.78 53.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.862 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -67.92 -25.77 65.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -90.36 -33.26 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 64.049999999999997 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p -55.87 -37.23 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -63.17 -19.84 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.875 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -107.44 -15.87 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.65 -34.55 15.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -80.68 -26.97 37.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -33.11 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.833 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.765 0.317 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -34.26 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.68 29.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 64.230000000000004 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -65.64 -12.76 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 71.200000000000003 110.929 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' THR . 10.7 m-85 -66.64 -32.07 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.909 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -87.13 -33.42 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 71.239999999999995 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.7 mm -75.89 -35.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.109999999999999 111.158 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' TYR . 13.9 t -47.67 -26.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p -56.71 -59.48 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.030000000000001 111.087 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -87.18 -22.77 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.162 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.565 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.5 t60 -55.0 -20.36 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 110.852 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -76.11 -17.65 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.84 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -18.48 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -76.63 -7.3 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.887 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -24.97 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.889 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.39 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 65.150000000000006 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.53 -30.58 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.219999999999999 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 14' ' ' PHE . 11.7 p -69.08 -42.88 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.118 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -64.55 -12.92 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 110.865 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -119.31 -2.04 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.9 -78.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -71.98 -33.0 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -62.27 -36.27 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.239999999999995 110.833 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.120000000000005 110.939 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 73.349999999999994 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -31.17 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.924 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.02 27.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 72.439999999999998 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' THR . 14.1 tttt -61.75 -16.88 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.340000000000003 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -60.86 -40.11 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -70.02 -33.54 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.9 mm -65.74 -34.49 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -45.08 -31.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 111.127 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -55.55 -64.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.72 -24.06 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.171 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.8 t60 -54.61 -20.18 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.835 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -18.93 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.862 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -17.87 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -24.01 57.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.896 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -28.25 52.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.109999999999999 110.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -25.65 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.099999999999994 110.892 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.75 -33.69 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.430000000000007 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -55.88 -37.33 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 53.210000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.8 -21.15 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.129999999999995 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -106.11 -15.6 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 70.129999999999995 110.903 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.31 -34.68 15.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.953 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.26 -26.6 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.861 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -93.95 -30.17 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 65.349999999999994 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.879 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.707 0.289 . . . . 62.43 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -32.02 24.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 75.519999999999996 110.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.44 27.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -63.64 -15.43 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 65.340000000000003 110.92 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.07 -27.55 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.88 3.05 56.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 70.109999999999999 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.9 mm -101.81 -38.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.040000000000006 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.03 -30.16 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 60.119999999999997 111.121 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.29 -54.21 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 63.329999999999998 111.193 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -89.44 -23.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.019999999999996 111.134 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 19.0 t60 -55.7 -19.17 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.884 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.17 -18.42 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 14' ' ' PHE . 2.5 pp -120.12 -16.17 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.913 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.874 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -25.56 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.83 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -25.75 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 65.150000000000006 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 21' ' ' LEU . 14.7 tp -83.01 -33.7 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' HD12 ' A' ' 21' ' ' LEU . 58.3 p -56.13 -37.56 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -55.7 -25.74 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.109999999999999 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -103.34 -26.04 13.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 110.868 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.855 HD11 HD23 ' A' ' 17' ' ' LEU . 15.4 mt -74.74 -33.09 62.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 62.530000000000001 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -90.69 -26.1 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 110.855 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -31.62 30.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.846 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.756 0.312 . . . . 63.350000000000001 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -25.78 19.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 64.400000000000006 110.923 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 22.37 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 74.439999999999998 110.906 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -54.99 -22.41 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 73.400000000000006 110.881 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -52.72 -40.81 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.875 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.63 -33.15 70.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HD13 ' A' ' 10' ' ' ILE . 7.2 mm -67.11 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 53.009999999999998 111.143 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.7 p -44.93 -31.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 63.130000000000003 111.159 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -55.51 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.126 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.86 -24.12 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 111.134 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.4 t60 -54.31 -20.53 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.140000000000001 110.85 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.63 -18.65 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 110.897 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.54 -19.47 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 55.25 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -13.75 60.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.885 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -23.14 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.899 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -24.64 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.44 -32.51 12.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.912 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -58.97 -37.38 76.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 65.25 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.92 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.852 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -105.4 -15.74 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 70.329999999999998 110.876 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.78 -34.72 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -86.16 -26.36 25.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -98.14 -30.74 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.854 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.93 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.779 0.323 . . . . 65.319999999999993 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.98 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.908 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.32 27.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 62.020000000000003 110.929 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -61.36 -17.21 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.549999999999997 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -58.66 -29.96 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 63.130000000000003 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.67 1.1 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 63.530000000000001 110.894 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.3 p -48.21 -30.32 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.519999999999996 111.124 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 111.15 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.64 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.400000000000006 111.111 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.824 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.94 -20.28 8.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 63.549999999999997 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.85 -26.1 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -56.19 -26.13 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -25.87 60.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.929 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.43 -32.83 22.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.914 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -55.72 -37.22 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 111.144 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -63.96 -16.13 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -111.05 -16.99 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.861 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -91.08 -34.62 15.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.963 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.73 -74.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.150000000000006 110.887 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 45.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.150000000000006 110.901 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.732 0.301 . . . . 61.329999999999998 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.5 -24.5 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.14 21.13 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.12 -20.04 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 72.120000000000005 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.06 -26.48 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 72.010000000000005 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.35 -5.41 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.725 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.36 -37.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.530000000000001 111.127 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.46 -25.8 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 111.14 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.38 -50.56 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.146 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.58 -22.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 111.114 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.36 -19.98 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.140000000000001 110.859 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -17.22 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 110.874 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.16 -19.06 7.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.956 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.54 -28.89 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -32.31 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 110.909 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.87 -25.56 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.936 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 -33.79 12.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.928 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.0 p -57.55 -37.18 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 70.549999999999997 111.146 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -63.67 -23.65 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.240000000000002 110.839 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.04 -13.23 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 44.130000000000003 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.7 tp -95.79 -24.53 16.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.130000000000003 110.939 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 25.01 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.874 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.721 0.296 . . . . 71.310000000000002 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -21.26 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.78 17.79 3.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 70.030000000000001 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -20.14 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.25 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.13 -28.66 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 70.510000000000005 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.67 2.2 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 62.210000000000001 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.758 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.2 mm -101.64 -38.4 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 54.25 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.04 -30.28 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 63.310000000000002 111.161 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.04 -53.9 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.111 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.758 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.04 -22.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.115 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.93 -20.1 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.829 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.5 -18.22 59.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -20.2 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.96 -23.9 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -26.15 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.885 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -25.38 63.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.932 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' CD2' HD12 ' A' ' 21' ' ' LEU . 12.7 tp -80.86 -34.54 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.8 p -54.46 -40.57 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 51.509999999999998 111.14 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.76 -19.88 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.874 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -105.9 -20.67 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 17' ' ' LEU . 14.1 mt -106.6 -75.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.956 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -51.93 -33.73 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.19 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 63.340000000000003 110.873 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 60.100000000000001 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.86 -24.02 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.409999999999997 110.928 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.31 20.84 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.881 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -57.62 -19.6 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 75.099999999999994 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -58.3 -28.88 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.945 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.88 0.39 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.826 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 111.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.1 -30.28 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.185 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.57 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.07 -53.67 52.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 111.177 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.36 -22.68 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.112 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.6 t60 -54.85 -20.14 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.846 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.49 -18.18 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 72.450000000000003 110.856 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -20.26 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 40.340000000000003 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.88 -25.64 53.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 60.340000000000003 110.909 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.1 -33.23 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 73.510000000000005 110.829 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.91 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.86 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.1 tp -92.44 -34.5 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 73.510000000000005 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -60.09 -35.47 75.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -30.82 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.816 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -108.23 -26.77 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 62.009999999999998 110.866 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.86 -74.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -51.86 -34.55 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.84 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.81 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.87 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.756 0.312 . . . . 63.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.16 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.944 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.72 17.65 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -56.63 -20.17 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 74.5 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.09 -28.95 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 71.530000000000001 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.757 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.3 mm -101.66 -38.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 60.299999999999997 111.187 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.11 -30.31 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.096 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.0 -53.75 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.173 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.23 -22.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 111.116 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.91 -20.14 8.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -75.48 -18.17 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.92 -20.22 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.932 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.9 -26.08 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.902 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -32.43 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.450000000000003 110.9 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -25.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.921 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.62 -30.71 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.019999999999996 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -64.31 -37.02 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.14 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.96 -25.42 68.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 63.119999999999997 110.841 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -104.33 -10.09 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.858 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.61 -34.23 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -90.58 -26.3 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.420000000000002 110.862 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.23 -26.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 62.450000000000003 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.86 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -24.56 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 63.229999999999997 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.11 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -57.18 -19.98 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 54.43 110.928 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -58.0 -27.06 63.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 110.935 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.737 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.21 -38.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 111.151 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.533 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 15.0 t -48.71 -26.56 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -56.59 -51.0 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 63.130000000000003 111.11 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.06 -22.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.117 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.542 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.5 t60 -55.06 -20.45 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.833 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.87 -16.09 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -119.26 -24.52 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 45.409999999999997 110.881 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.539 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.9 m-85 -74.86 -25.9 59.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.240000000000002 110.85 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -54.66 -30.7 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -65.26 -27.49 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -32.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.959 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -64.34 -37.0 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -62.98 -25.44 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.019999999999996 110.841 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -104.29 -10.05 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.400000000000006 110.864 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.57 -34.21 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.340000000000003 110.882 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -90.83 -27.5 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -99.22 -26.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.89 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.888 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.726 0.298 . . . . 73.239999999999995 110.944 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -24.56 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.019999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.09 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 74.299999999999997 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -57.19 -20.0 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.05 -26.49 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.310000000000002 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.39 -5.32 46.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.895 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.3 -37.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.148 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.7 t -49.07 -26.18 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.450000000000003 111.158 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.05 -50.79 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 65.209999999999994 111.139 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.29 -22.17 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.104 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.8 t60 -55.26 -20.16 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.846 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.23 -17.39 59.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -119.27 -20.17 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.120000000000005 110.909 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 18' ' ' THR . 1.1 m-85 -77.25 -25.64 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.855 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -57.55 -47.7 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.903 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -57.28 -23.31 47.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 53.130000000000003 110.883 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' HG ' HD12 ' A' ' 21' ' ' LEU . 23.1 tp -83.64 -33.6 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 14' ' ' PHE . 21.1 p -63.58 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 34.229999999999997 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -61.35 -18.05 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 110.839 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.23 -16.12 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.625 HD12 ' HG ' ' A' ' 17' ' ' LEU . 15.3 mt -112.04 -74.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.927 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -52.33 -37.38 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -29.92 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.842 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 55.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 73.349999999999994 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.89 -24.09 17.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.23 20.86 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.941 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -57.66 -19.51 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.77 0.33 57.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 62.340000000000003 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.5 mm -101.5 -38.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 61.219999999999999 111.137 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.18 -30.34 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 55.149999999999999 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.64 53.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.119999999999997 111.198 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -22.66 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.156 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.81 -20.21 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.841 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.4 -18.24 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.88 -20.36 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 70.209999999999994 110.905 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.76 -26.13 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.861 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -56.43 -25.44 50.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.838 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -25.68 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 63.219999999999999 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' HG ' HD12 ' A' ' 21' ' ' LEU . 35.2 tp -88.29 -33.71 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.905 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.409 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 70.9 p -51.3 -34.56 33.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.118 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -29.12 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.861 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -114.88 -25.14 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.863 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.904 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -119.65 -31.1 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -34.45 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.874 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 110.932 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -32.57 33.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.917 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.87 27.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.929 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -63.06 -15.65 57.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.130000000000003 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.58 -26.6 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.893 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.3 -7.16 48.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 110.871 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.7 mm -88.76 -36.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.19 -25.91 4.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.13 -56.17 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.1 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 111.18 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.71 -19.37 10.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -17.88 58.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.862 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.86 -18.64 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.9 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -25.97 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.439999999999998 110.898 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -55.85 -27.14 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.83 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.903 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.702 HD23 HD11 ' A' ' 21' ' ' LEU . 14.6 tp -89.6 -33.0 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 21' ' ' LEU . 59.9 p -55.84 -37.45 68.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 111.096 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -25.69 42.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.895 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -102.72 -26.26 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.540000000000006 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD23 ' A' ' 17' ' ' LEU . 16.6 mt -69.32 -74.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.911 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -52.47 -33.09 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -33.22 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.409999999999997 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.906 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 64.409999999999997 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -33.37 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.19 28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -62.48 -16.06 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 71.319999999999993 110.96 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.94 -30.01 69.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.956 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.57 -7.19 56.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.736 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.6 mm -89.14 -36.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 72.109999999999999 111.093 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.17 -25.93 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.349999999999994 111.165 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.09 -56.19 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.137 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.239999999999995 111.128 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.66 -19.4 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.869 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -76.62 -17.9 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.87 -18.65 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 54.149999999999999 110.882 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.11 -25.21 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.230000000000004 110.927 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -54.73 -30.41 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -25.16 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.21 -33.22 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 64.409999999999997 110.949 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -55.89 -37.33 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 111.159 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -62.41 -22.11 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.864 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -104.99 -16.18 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 110.867 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.21 -34.81 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.94 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -87.61 -26.3 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 70.310000000000002 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.010000000000005 110.856 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.019999999999996 110.812 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 70.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -21.29 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 65.329999999999998 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 17.75 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.64 -20.14 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.010000000000005 110.926 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.11 -28.86 65.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.150000000000006 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.62 2.31 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.66 -38.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.530000000000001 111.204 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -47.99 -30.24 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 70.200000000000003 111.152 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.14 -53.68 52.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.092 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.32 -22.65 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 54.539999999999999 111.178 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.7 t60 -54.94 -20.08 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 60.420000000000002 110.872 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -75.46 -18.26 59.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.95 -20.1 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.98 -19.59 57.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.833 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -58.04 -23.1 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -76.19 -17.28 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD23 HD12 ' A' ' 21' ' ' LEU . 37.4 tp -81.27 -30.05 34.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.919 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 p -50.37 -33.21 19.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.129 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -29.91 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 70.25 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -24.05 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.85 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -56.92 -69.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.945 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -120.24 -31.26 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.876 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -26.42 61.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 50.049999999999997 110.847 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.120000000000005 110.879 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 70.519999999999996 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -24.07 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.914 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 20.86 2.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -57.63 -19.57 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 73.219999999999999 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -58.25 -29.15 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.229999999999997 110.9 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.6 0.36 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 71.209999999999994 110.911 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.5 -38.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.136 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.16 -30.37 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 111.168 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.61 53.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.179 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.145 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.85 -20.16 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.120000000000005 110.89 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 63.439999999999998 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.98 -20.2 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.91 -26.05 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -56.16 -26.07 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.898 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -25.57 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.13 -33.33 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.4 p -55.63 -37.49 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.127 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.842 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -15.61 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.150000000000006 110.825 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.23 -34.59 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 62.240000000000002 110.921 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -92.01 -29.94 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.876 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.15 27.78 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 62.030000000000001 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.899 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.96 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 73.030000000000001 110.904 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 27.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 70.349999999999994 110.892 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -61.55 -17.0 53.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.120000000000005 110.885 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.03 -29.9 67.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.962 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.63 1.15 56.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 75.319999999999993 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.74 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.49 -38.02 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 63.539999999999999 111.123 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.15 -30.37 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.162 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.69 52.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 111.197 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.29 -22.66 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.157 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.84 -20.18 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.869 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -18.18 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -20.16 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.310000000000002 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.76 -23.17 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 54.109999999999999 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -55.95 -24.72 39.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -14.71 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.140000000000001 110.91 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 -46.42 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.873 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.209999999999994 111.174 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.51 60.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.87 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -19.31 65.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.5 -55.93 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.937 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.51 -34.53 50.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -67.29 -32.6 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.921 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.308 . . . . 75.109999999999999 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.52 19.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 21.17 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.925 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -57.21 -19.94 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.420000000000002 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.02 -26.89 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.94 -5.37 47.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 61.229999999999997 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.28 -37.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 64.140000000000001 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.6 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.175 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.605 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.18 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.6 -22.19 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.166 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.557 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.39 -19.95 10.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.44 -17.27 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -19.05 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 62.310000000000002 110.961 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -23.6 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -26.04 43.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.219999999999999 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -26.72 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.030000000000001 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -85.6 -34.19 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 110.917 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -54.06 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -58.61 -21.3 53.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 74.129999999999995 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -104.28 -26.67 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.03 -71.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.912 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.97 -32.93 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -81.6 -32.37 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.310000000000002 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.857 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 73.010000000000005 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -31.22 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.911 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.01 27.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 65.010000000000005 110.953 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 32.6 tttp -61.86 -16.79 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.854 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.15 -40.15 92.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -70.06 -33.57 72.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 64.329999999999998 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.8 mm -65.64 -34.63 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.040000000000006 111.146 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.5 p -44.79 -31.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.185 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.9 p -55.18 -64.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 65.299999999999997 111.162 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -79.16 -23.77 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 111.102 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.551 ' HB2' HG22 ' A' ' 7' ' ' ILE . 14.3 t60 -53.92 -20.92 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.329999999999998 110.858 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.1 -19.09 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 tp -118.09 -21.13 8.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 110.883 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.85 -29.9 58.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -27.32 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -65.74 -26.14 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.430000000000007 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -33.4 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.415 . . . . 70.329999999999998 110.911 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -64.14 -33.64 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.151 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.16 -37.56 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 71.129999999999995 110.875 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.48 -6.12 20.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -106.53 -76.0 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -52.02 -32.12 32.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -113.2 27.19 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.87 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.948 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 71.310000000000002 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -24.54 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 21.08 2.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -57.05 -20.11 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.909 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -57.91 -26.76 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -94.71 -5.07 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.349999999999994 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.28 -37.62 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.145 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.36 -50.62 72.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 111.158 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.53 -22.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 111.14 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.549 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.35 -20.01 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.150000000000006 110.837 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.3 -17.36 59.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 75.150000000000006 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 -19.06 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.956 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -26.45 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.853 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -27.78 53.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.862 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -67.92 -25.77 65.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -90.36 -33.26 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 64.049999999999997 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p -55.87 -37.23 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -63.17 -19.84 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.875 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -107.44 -15.87 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.65 -34.55 15.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -80.68 -26.97 37.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -33.11 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.833 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.765 0.317 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -34.26 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.68 29.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 64.230000000000004 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -65.64 -12.76 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 71.200000000000003 110.929 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' THR . 10.7 m-85 -66.64 -32.07 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.909 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -87.13 -33.42 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 71.239999999999995 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.7 mm -75.89 -35.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.109999999999999 111.158 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' TYR . 13.9 t -47.67 -26.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p -56.71 -59.48 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.030000000000001 111.087 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -87.18 -22.77 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.162 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.565 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.5 t60 -55.0 -20.36 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 110.852 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.11 -17.65 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.84 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -18.48 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -76.63 -7.3 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.887 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -24.97 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.889 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.39 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 65.150000000000006 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.53 -30.58 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.219999999999999 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 14' ' ' PHE . 11.7 p -69.08 -42.88 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.118 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -64.55 -12.92 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 110.865 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -119.31 -2.04 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.9 -78.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -71.98 -33.0 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -62.27 -36.27 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.239999999999995 110.833 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.120000000000005 110.939 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 73.349999999999994 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -31.17 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.924 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.02 27.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 72.439999999999998 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' THR . 14.1 tttt -61.75 -16.88 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.340000000000003 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -60.86 -40.11 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -70.02 -33.54 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.9 mm -65.74 -34.49 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -45.08 -31.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 111.127 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -55.55 -64.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.72 -24.06 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.171 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.8 t60 -54.61 -20.18 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.835 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -18.93 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.862 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -17.87 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -24.01 57.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.896 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -28.25 52.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.109999999999999 110.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -25.65 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.099999999999994 110.892 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.75 -33.69 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.430000000000007 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -55.88 -37.33 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 53.210000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.8 -21.15 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.129999999999995 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -106.11 -15.6 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 70.129999999999995 110.903 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.31 -34.68 15.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.953 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.26 -26.6 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.861 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -93.95 -30.17 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 65.349999999999994 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.879 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.707 0.289 . . . . 62.43 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -32.02 24.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 75.519999999999996 110.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.44 27.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -63.64 -15.43 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 65.340000000000003 110.92 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.07 -27.55 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.88 3.05 56.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 70.109999999999999 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.9 mm -101.81 -38.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.040000000000006 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.03 -30.16 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 60.119999999999997 111.121 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.29 -54.21 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 63.329999999999998 111.193 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -89.44 -23.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.019999999999996 111.134 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 19.0 t60 -55.7 -19.17 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.884 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.17 -18.42 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 14' ' ' PHE . 2.5 pp -120.12 -16.17 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.913 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.874 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -25.56 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.83 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -25.75 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 65.150000000000006 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 21' ' ' LEU . 14.7 tp -83.01 -33.7 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' HD12 ' A' ' 21' ' ' LEU . 58.3 p -56.13 -37.56 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -55.7 -25.74 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.109999999999999 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -103.34 -26.04 13.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 110.868 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.855 HD11 HD23 ' A' ' 17' ' ' LEU . 15.4 mt -74.74 -33.09 62.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 62.530000000000001 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -90.69 -26.1 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 110.855 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -31.62 30.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.846 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.756 0.312 . . . . 63.350000000000001 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -25.78 19.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 64.400000000000006 110.923 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 22.37 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 74.439999999999998 110.906 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -54.99 -22.41 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 73.400000000000006 110.881 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -52.72 -40.81 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.875 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.63 -33.15 70.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HD13 ' A' ' 10' ' ' ILE . 7.2 mm -67.11 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 53.009999999999998 111.143 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.7 p -44.93 -31.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 63.130000000000003 111.159 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -55.51 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.126 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.86 -24.12 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 111.134 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.4 t60 -54.31 -20.53 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.140000000000001 110.85 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.63 -18.65 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 110.897 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.54 -19.47 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 55.25 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -13.75 60.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.885 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -23.14 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.899 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -24.64 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.44 -32.51 12.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.912 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -58.97 -37.38 76.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 65.25 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.92 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.852 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -105.4 -15.74 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 70.329999999999998 110.876 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.78 -34.72 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -86.16 -26.36 25.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -98.14 -30.74 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.854 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.93 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.779 0.323 . . . . 65.319999999999993 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.98 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.908 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.32 27.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 62.020000000000003 110.929 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -61.36 -17.21 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.549999999999997 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -58.66 -29.96 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 63.130000000000003 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.67 1.1 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 63.530000000000001 110.894 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.3 p -48.21 -30.32 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.519999999999996 111.124 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 111.15 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.64 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.400000000000006 111.111 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.824 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.94 -20.28 8.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 63.549999999999997 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.85 -26.1 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -56.19 -26.13 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -25.87 60.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.929 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.43 -32.83 22.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.914 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -55.72 -37.22 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 111.144 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -63.96 -16.13 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -111.05 -16.99 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.861 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -91.08 -34.62 15.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.963 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.73 -74.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.150000000000006 110.887 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 45.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.150000000000006 110.901 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.732 0.301 . . . . 61.329999999999998 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.5 -24.5 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.14 21.13 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.12 -20.04 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 72.120000000000005 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.06 -26.48 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 72.010000000000005 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.35 -5.41 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.725 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.36 -37.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.530000000000001 111.127 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.46 -25.8 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 111.14 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.38 -50.56 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.146 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.58 -22.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 111.114 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.36 -19.98 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.140000000000001 110.859 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -17.22 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 110.874 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.16 -19.06 7.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.956 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.54 -28.89 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -32.31 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 110.909 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.87 -25.56 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.936 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 -33.79 12.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.928 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.0 p -57.55 -37.18 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 70.549999999999997 111.146 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -63.67 -23.65 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.240000000000002 110.839 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.04 -13.23 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 44.130000000000003 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.7 tp -95.79 -24.53 16.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.130000000000003 110.939 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 25.01 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.874 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.721 0.296 . . . . 71.310000000000002 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -21.26 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.78 17.79 3.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 70.030000000000001 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -20.14 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.25 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.13 -28.66 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 70.510000000000005 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.67 2.2 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 62.210000000000001 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.758 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.2 mm -101.64 -38.4 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 54.25 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.04 -30.28 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 63.310000000000002 111.161 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.04 -53.9 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.111 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.758 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.04 -22.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.115 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.93 -20.1 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.829 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.5 -18.22 59.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -20.2 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.96 -23.9 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -26.15 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.885 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -25.38 63.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.932 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.57 ' CD2' HD12 ' A' ' 21' ' ' LEU . 12.7 tp -80.86 -34.54 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.8 p -54.46 -40.57 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 51.509999999999998 111.14 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.76 -19.88 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.874 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -105.9 -20.67 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 17' ' ' LEU . 14.1 mt -106.6 -75.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.956 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -51.93 -33.73 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.19 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 63.340000000000003 110.873 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 60.100000000000001 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.86 -24.02 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.409999999999997 110.928 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.31 20.84 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.881 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -57.62 -19.6 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 75.099999999999994 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -58.3 -28.88 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.945 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.88 0.39 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.826 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 111.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.1 -30.28 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.185 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.57 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.07 -53.67 52.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 111.177 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.36 -22.68 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.112 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.6 t60 -54.85 -20.14 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.846 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.49 -18.18 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 72.450000000000003 110.856 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -20.26 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 40.340000000000003 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.88 -25.64 53.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 60.340000000000003 110.909 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.1 -33.23 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 73.510000000000005 110.829 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.91 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.86 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.1 tp -92.44 -34.5 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 73.510000000000005 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -60.09 -35.47 75.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -30.82 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.816 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -108.23 -26.77 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 62.009999999999998 110.866 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.86 -74.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -51.86 -34.55 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.84 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.81 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.87 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.756 0.312 . . . . 63.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.16 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.944 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.72 17.65 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -56.63 -20.17 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 74.5 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.09 -28.95 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 71.530000000000001 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.757 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.3 mm -101.66 -38.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 60.299999999999997 111.187 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.498 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.11 -30.31 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.096 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.0 -53.75 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.173 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.23 -22.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 111.116 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.91 -20.14 8.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -75.48 -18.17 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.92 -20.22 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.932 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.9 -26.08 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.902 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -32.43 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.450000000000003 110.9 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -25.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.921 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.62 -30.71 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.019999999999996 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -64.31 -37.02 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.14 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.96 -25.42 68.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 63.119999999999997 110.841 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -104.33 -10.09 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.858 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.61 -34.23 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -90.58 -26.3 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.420000000000002 110.862 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.23 -26.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 62.450000000000003 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.86 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -24.56 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 63.229999999999997 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.11 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -57.18 -19.98 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 54.43 110.928 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -58.0 -27.06 63.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 110.935 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.737 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.21 -38.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 111.151 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.533 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 15.0 t -48.71 -26.56 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -56.59 -51.0 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 63.130000000000003 111.11 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.06 -22.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.117 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.542 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.5 t60 -55.06 -20.45 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.833 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.87 -16.09 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -119.26 -24.52 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 45.409999999999997 110.881 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.539 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.9 m-85 -74.86 -25.9 59.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.240000000000002 110.85 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -54.66 -30.7 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -65.26 -27.49 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -32.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.959 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -64.34 -37.0 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -62.98 -25.44 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.019999999999996 110.841 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -104.29 -10.05 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.400000000000006 110.864 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.57 -34.21 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.340000000000003 110.882 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -90.83 -27.5 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -99.22 -26.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.89 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.888 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.726 0.298 . . . . 73.239999999999995 110.944 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -24.56 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.019999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.09 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 74.299999999999997 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -57.19 -20.0 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.05 -26.49 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.310000000000002 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.39 -5.32 46.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.895 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.3 -37.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.148 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.7 t -49.07 -26.18 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.450000000000003 111.158 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.05 -50.79 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 65.209999999999994 111.139 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.29 -22.17 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.104 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.8 t60 -55.26 -20.16 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.846 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.23 -17.39 59.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -119.27 -20.17 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.120000000000005 110.909 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 18' ' ' THR . 1.1 m-85 -77.25 -25.64 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.855 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -57.55 -47.7 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.903 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -57.28 -23.31 47.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 53.130000000000003 110.883 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' HG ' HD12 ' A' ' 21' ' ' LEU . 23.1 tp -83.64 -33.6 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 14' ' ' PHE . 21.1 p -63.58 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 34.229999999999997 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -61.35 -18.05 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 110.839 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.23 -16.12 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.625 HD12 ' HG ' ' A' ' 17' ' ' LEU . 15.3 mt -112.04 -74.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.927 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -52.33 -37.38 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -29.92 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.842 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 55.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 73.349999999999994 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.89 -24.09 17.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.23 20.86 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.941 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -57.66 -19.51 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.77 0.33 57.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 62.340000000000003 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.5 mm -101.5 -38.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 61.219999999999999 111.137 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.18 -30.34 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 55.149999999999999 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.64 53.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.119999999999997 111.198 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -22.66 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.156 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.81 -20.21 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.841 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.4 -18.24 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.88 -20.36 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 70.209999999999994 110.905 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.76 -26.13 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.861 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -56.43 -25.44 50.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.838 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -25.68 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 63.219999999999999 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' HG ' HD12 ' A' ' 21' ' ' LEU . 35.2 tp -88.29 -33.71 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.905 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.409 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 70.9 p -51.3 -34.56 33.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.118 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -29.12 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.861 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -114.88 -25.14 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.863 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.904 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -119.65 -31.1 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -34.45 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.874 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 110.932 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -32.57 33.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.917 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.87 27.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.929 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -63.06 -15.65 57.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.130000000000003 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.58 -26.6 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.893 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.3 -7.16 48.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 110.871 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.7 mm -88.76 -36.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.19 -25.91 4.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.13 -56.17 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.1 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 111.18 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.71 -19.37 10.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -17.88 58.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.862 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.86 -18.64 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.9 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -25.97 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.439999999999998 110.898 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -55.85 -27.14 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.83 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.903 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.702 HD23 HD11 ' A' ' 21' ' ' LEU . 14.6 tp -89.6 -33.0 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 21' ' ' LEU . 59.9 p -55.84 -37.45 68.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 111.096 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -25.69 42.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.895 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -102.72 -26.26 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.540000000000006 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD23 ' A' ' 17' ' ' LEU . 16.6 mt -69.32 -74.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.911 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -52.47 -33.09 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -33.22 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.409999999999997 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.906 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 64.409999999999997 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -33.37 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.19 28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -62.48 -16.06 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 71.319999999999993 110.96 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.94 -30.01 69.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.956 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.57 -7.19 56.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.736 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.6 mm -89.14 -36.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 72.109999999999999 111.093 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.17 -25.93 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.349999999999994 111.165 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.09 -56.19 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.137 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.239999999999995 111.128 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.66 -19.4 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.869 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -76.62 -17.9 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.87 -18.65 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 54.149999999999999 110.882 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.11 -25.21 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.230000000000004 110.927 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -54.73 -30.41 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -25.16 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.21 -33.22 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 64.409999999999997 110.949 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -55.89 -37.33 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 111.159 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -62.41 -22.11 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.864 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -104.99 -16.18 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 110.867 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.21 -34.81 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.94 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -87.61 -26.3 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 70.310000000000002 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.010000000000005 110.856 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.019999999999996 110.812 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 70.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -21.29 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 65.329999999999998 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 17.75 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.64 -20.14 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.010000000000005 110.926 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.11 -28.86 65.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.150000000000006 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.62 2.31 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.66 -38.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.530000000000001 111.204 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -47.99 -30.24 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 70.200000000000003 111.152 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.14 -53.68 52.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.092 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.32 -22.65 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 54.539999999999999 111.178 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.7 t60 -54.94 -20.08 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 60.420000000000002 110.872 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -75.46 -18.26 59.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.95 -20.1 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.98 -19.59 57.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.833 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -58.04 -23.1 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -76.19 -17.28 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD23 HD12 ' A' ' 21' ' ' LEU . 37.4 tp -81.27 -30.05 34.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.919 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 p -50.37 -33.21 19.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.129 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -29.91 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 70.25 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -24.05 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.85 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -56.92 -69.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.945 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -120.24 -31.26 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.876 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -26.42 61.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 50.049999999999997 110.847 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.120000000000005 110.879 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 70.519999999999996 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -24.07 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.914 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 20.86 2.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -57.63 -19.57 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 73.219999999999999 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -58.25 -29.15 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.229999999999997 110.9 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.6 0.36 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 71.209999999999994 110.911 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.5 -38.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.136 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.16 -30.37 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 111.168 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.61 53.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.179 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.145 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.85 -20.16 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.120000000000005 110.89 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 63.439999999999998 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.98 -20.2 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.91 -26.05 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -56.16 -26.07 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.898 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -25.57 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.13 -33.33 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.4 p -55.63 -37.49 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.127 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.842 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -15.61 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.150000000000006 110.825 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.23 -34.59 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 62.240000000000002 110.921 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -92.01 -29.94 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.876 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.15 27.78 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 62.030000000000001 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.899 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.96 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 73.030000000000001 110.904 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 27.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 70.349999999999994 110.892 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -61.55 -17.0 53.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.120000000000005 110.885 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.03 -29.9 67.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.962 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.63 1.15 56.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 75.319999999999993 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.74 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.49 -38.02 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 63.539999999999999 111.123 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.15 -30.37 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.162 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.69 52.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 111.197 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.29 -22.66 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.157 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.84 -20.18 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.869 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -18.18 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -20.16 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.310000000000002 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.76 -23.17 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 54.109999999999999 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -55.95 -24.72 39.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -14.71 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.140000000000001 110.91 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 -46.42 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.873 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.209999999999994 111.174 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.51 60.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.87 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -19.31 65.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.5 -55.93 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.937 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.51 -34.53 50.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -67.29 -32.6 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.921 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.308 . . . . 75.109999999999999 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.52 19.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 21.17 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.925 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -57.21 -19.94 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 65.420000000000002 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.02 -26.89 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.94 -5.37 47.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 61.229999999999997 110.883 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.28 -37.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 64.140000000000001 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.6 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.175 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.605 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.18 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.6 -22.19 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.409999999999997 111.166 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.557 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.39 -19.95 10.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.44 -17.27 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.340000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -19.05 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 62.310000000000002 110.961 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -23.6 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.915 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -26.04 43.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.219999999999999 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -26.72 61.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.030000000000001 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -85.6 -34.19 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 73.549999999999997 110.917 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -54.06 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -58.61 -21.3 53.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 74.129999999999995 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -104.28 -26.67 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.03 -71.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.912 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.97 -32.93 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -81.6 -32.37 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.310000000000002 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.857 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 73.010000000000005 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -31.22 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.911 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.01 27.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 65.010000000000005 110.953 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 32.6 tttp -61.86 -16.79 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.854 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.15 -40.15 92.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -70.06 -33.57 72.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 64.329999999999998 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.8 mm -65.64 -34.63 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.040000000000006 111.146 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.5 p -44.79 -31.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.185 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.9 p -55.18 -64.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 65.299999999999997 111.162 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -79.16 -23.77 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 111.102 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.551 ' HB2' HG22 ' A' ' 7' ' ' ILE . 14.3 t60 -53.92 -20.92 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 64.329999999999998 110.858 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.1 -19.09 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.2 tp -118.09 -21.13 8.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 72.140000000000001 110.883 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.85 -29.9 58.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -27.32 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -65.74 -26.14 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.430000000000007 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -33.4 21.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.286 -0.415 . . . . 70.329999999999998 110.911 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -64.14 -33.64 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.151 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.16 -37.56 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 71.129999999999995 110.875 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.48 -6.12 20.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -106.53 -76.0 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -52.02 -32.12 32.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -113.2 27.19 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.87 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.948 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 71.310000000000002 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -24.54 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 21.08 2.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -57.05 -20.11 22.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.909 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -57.91 -26.76 62.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -94.71 -5.07 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.349999999999994 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.28 -37.62 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.42 -25.78 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.145 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.36 -50.62 72.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 111.158 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.53 -22.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 111.14 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.549 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.35 -20.01 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.150000000000006 110.837 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.3 -17.36 59.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 75.150000000000006 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 -19.06 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.956 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -26.45 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.853 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -27.78 53.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.862 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -67.92 -25.77 65.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -90.36 -33.26 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 64.049999999999997 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p -55.87 -37.23 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 111.139 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -63.17 -19.84 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.875 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -107.44 -15.87 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.65 -34.55 15.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -80.68 -26.97 37.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -33.11 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.833 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.765 0.317 . . . . 75.310000000000002 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -34.26 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.68 29.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 64.230000000000004 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -65.64 -12.76 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 71.200000000000003 110.929 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.6 ' O ' HG22 ' A' ' 8' ' ' THR . 10.7 m-85 -66.64 -32.07 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.909 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -87.13 -33.42 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 71.239999999999995 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.7 mm -75.89 -35.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.109999999999999 111.158 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 5' ' ' TYR . 13.9 t -47.67 -26.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p -56.71 -59.48 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.030000000000001 111.087 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -87.18 -22.77 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.162 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.565 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.5 t60 -55.0 -20.36 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.109999999999999 110.852 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.11 -17.65 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.84 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -18.48 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -76.63 -7.3 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.887 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -24.97 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.120000000000005 110.889 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -0.39 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 65.150000000000006 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.5 mt -120.53 -30.58 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.219999999999999 110.874 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 14' ' ' PHE . 11.7 p -69.08 -42.88 75.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.118 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -64.55 -12.92 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 110.865 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -119.31 -2.04 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.9 -78.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -71.98 -33.0 67.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -62.27 -36.27 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.239999999999995 110.833 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.120000000000005 110.939 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 73.349999999999994 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -31.17 24.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 75.409999999999997 110.924 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.02 27.42 1.36 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 72.439999999999998 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' THR . 14.1 tttt -61.75 -16.88 53.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.340000000000003 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -60.86 -40.11 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -70.02 -33.54 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HD13 ' A' ' 10' ' ' ILE . 6.9 mm -65.74 -34.49 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -45.08 -31.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 111.127 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -55.55 -64.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.439999999999998 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.72 -24.06 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 111.171 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.8 t60 -54.61 -20.18 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.835 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -18.93 60.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 110.862 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.08 -17.87 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -24.01 57.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.896 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -28.25 52.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.109999999999999 110.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -25.65 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.099999999999994 110.892 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.75 -33.69 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.430000000000007 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -55.88 -37.33 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 53.210000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.8 -21.15 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 72.129999999999995 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -106.11 -15.6 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 70.129999999999995 110.903 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.31 -34.68 15.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.953 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.26 -26.6 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.861 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -93.95 -30.17 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 65.349999999999994 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 110.879 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.707 0.289 . . . . 62.43 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -32.02 24.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 75.519999999999996 110.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.44 27.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -63.64 -15.43 58.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 65.340000000000003 110.92 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.07 -27.55 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.88 3.05 56.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 70.109999999999999 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.9 mm -101.81 -38.7 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 75.040000000000006 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.03 -30.16 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 60.119999999999997 111.121 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.29 -54.21 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 63.329999999999998 111.193 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -89.44 -23.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.019999999999996 111.134 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 19.0 t60 -55.7 -19.17 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.884 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.17 -18.42 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 14' ' ' PHE . 2.5 pp -120.12 -16.17 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.913 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.874 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -25.56 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.83 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -25.75 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 65.150000000000006 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 21' ' ' LEU . 14.7 tp -83.01 -33.7 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' HD12 ' A' ' 21' ' ' LEU . 58.3 p -56.13 -37.56 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -55.7 -25.74 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 73.109999999999999 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -103.34 -26.04 13.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 110.868 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.855 HD11 HD23 ' A' ' 17' ' ' LEU . 15.4 mt -74.74 -33.09 62.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 62.530000000000001 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -90.69 -26.1 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 110.855 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -31.62 30.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.883 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 74.430000000000007 110.846 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.756 0.312 . . . . 63.350000000000001 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -25.78 19.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 64.400000000000006 110.923 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 22.37 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 74.439999999999998 110.906 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -54.99 -22.41 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 73.400000000000006 110.881 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -52.72 -40.81 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.875 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.63 -33.15 70.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HD13 ' A' ' 10' ' ' ILE . 7.2 mm -67.11 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 53.009999999999998 111.143 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.7 p -44.93 -31.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 63.130000000000003 111.159 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -55.51 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.126 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -78.86 -24.12 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 111.134 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 16.4 t60 -54.31 -20.53 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.140000000000001 110.85 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -74.63 -18.65 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 110.897 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.54 -19.47 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 55.25 110.908 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.24 -13.75 60.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.885 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -23.14 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.899 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -24.64 45.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.914 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.44 -32.51 12.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.912 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -58.97 -37.38 76.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 65.25 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.92 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.852 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -105.4 -15.74 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 70.329999999999998 110.876 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.78 -34.72 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -86.16 -26.36 25.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.846 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -98.14 -30.74 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.854 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.93 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.779 0.323 . . . . 65.319999999999993 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.98 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.908 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.32 27.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 62.020000000000003 110.929 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -61.36 -17.21 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.549999999999997 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -58.66 -29.96 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 63.130000000000003 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.67 1.1 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 63.530000000000001 110.894 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.135 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.3 p -48.21 -30.32 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.519999999999996 111.124 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.230000000000004 111.15 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.64 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.400000000000006 111.111 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.310000000000002 110.824 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.94 -20.28 8.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 63.549999999999997 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.85 -26.1 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -56.19 -26.13 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -25.87 60.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.929 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.43 -32.83 22.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.914 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.7 p -55.72 -37.22 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 111.144 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -63.96 -16.13 60.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -111.05 -16.99 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 110.861 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -91.08 -34.62 15.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.963 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.73 -74.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.150000000000006 110.887 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 45.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.150000000000006 110.901 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.732 0.301 . . . . 61.329999999999998 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.5 -24.5 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.14 21.13 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.12 -20.04 23.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 72.120000000000005 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.06 -26.48 62.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 72.010000000000005 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.35 -5.41 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.725 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.36 -37.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.530000000000001 111.127 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.5 t -49.46 -25.8 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 111.14 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.588 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.38 -50.56 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.310000000000002 111.146 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.58 -22.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 111.114 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.552 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t60 -55.36 -19.98 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.140000000000001 110.859 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.43 -17.22 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 110.874 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.16 -19.06 7.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 63.450000000000003 110.956 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.54 -28.89 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -32.31 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 110.909 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.87 -25.56 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.936 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 -33.79 12.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.928 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.0 p -57.55 -37.18 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 70.549999999999997 111.146 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -63.67 -23.65 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.240000000000002 110.839 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.04 -13.23 16.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 44.130000000000003 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.7 tp -95.79 -24.53 16.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 63.130000000000003 110.939 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.873 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 25.01 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.874 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.721 0.296 . . . . 71.310000000000002 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -21.26 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.78 17.79 3.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 70.030000000000001 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -20.14 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.25 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.13 -28.66 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 70.510000000000005 110.916 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.67 2.2 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 62.210000000000001 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.758 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.2 mm -101.64 -38.4 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 54.25 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.04 -30.28 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 63.310000000000002 111.161 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -55.04 -53.9 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.111 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.758 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.04 -22.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.115 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.93 -20.1 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.829 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.5 -18.22 59.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 61.039999999999999 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -20.2 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.96 -23.9 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -26.15 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.885 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -25.38 63.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.932 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' CD2' HD12 ' A' ' 21' ' ' LEU . 12.7 tp -80.86 -34.54 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.925 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.8 p -54.46 -40.57 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 51.509999999999998 111.14 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.76 -19.88 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.874 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -105.9 -20.67 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 17' ' ' LEU . 14.1 mt -106.6 -75.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.956 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -51.93 -33.73 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.19 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 63.340000000000003 110.873 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 70.239999999999995 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 60.100000000000001 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.86 -24.02 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.409999999999997 110.928 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.31 20.84 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.881 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -57.62 -19.6 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 75.099999999999994 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -58.3 -28.88 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.945 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.88 0.39 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.826 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.53 -38.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 111.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.1 -30.28 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.185 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.57 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.07 -53.67 52.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 72.239999999999995 111.177 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.36 -22.68 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.112 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.6 t60 -54.85 -20.14 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.846 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.49 -18.18 59.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 72.450000000000003 110.856 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -20.26 8.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 40.340000000000003 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.88 -25.64 53.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 60.340000000000003 110.909 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.1 -33.23 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 73.510000000000005 110.829 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.91 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.86 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.1 tp -92.44 -34.5 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 73.510000000000005 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -60.09 -35.47 75.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -30.82 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.816 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -108.23 -26.77 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 62.009999999999998 110.866 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.86 -74.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.913 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -51.86 -34.55 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.310000000000002 110.84 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.81 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.87 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.756 0.312 . . . . 63.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.16 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.944 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.72 17.65 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -56.63 -20.17 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 74.5 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.09 -28.95 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 71.530000000000001 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.757 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.3 mm -101.66 -38.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 60.299999999999997 111.187 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.11 -30.31 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.096 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.0 -53.75 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.173 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.23 -22.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 111.116 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.91 -20.14 8.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 110.842 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -75.48 -18.17 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.92 -20.22 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.932 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.9 -26.08 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.902 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -32.43 56.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.450000000000003 110.9 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -25.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.921 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.62 -30.71 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.019999999999996 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -64.31 -37.02 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 111.14 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.96 -25.42 68.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 63.119999999999997 110.841 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -104.33 -10.09 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.858 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.61 -34.23 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -90.58 -26.3 19.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.420000000000002 110.862 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.23 -26.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 62.450000000000003 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.86 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.742 0.306 . . . . 71.439999999999998 110.937 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.51 -24.56 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 63.229999999999997 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.11 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -57.18 -19.98 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 54.43 110.928 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -58.0 -27.06 63.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 110.935 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -93.78 -5.27 48.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.737 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.8 mm -102.21 -38.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 74.530000000000001 111.151 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.533 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 15.0 t -48.71 -26.56 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.138 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -56.59 -51.0 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 63.130000000000003 111.11 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.06 -22.15 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.219999999999999 111.117 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.542 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.5 t60 -55.06 -20.45 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.833 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.87 -16.09 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 110.923 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -119.26 -24.52 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 45.409999999999997 110.881 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.539 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.9 m-85 -74.86 -25.9 59.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.240000000000002 110.85 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -54.66 -30.7 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -65.26 -27.49 68.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -32.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.049999999999997 110.959 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -64.34 -37.0 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -62.98 -25.44 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.019999999999996 110.841 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -104.29 -10.05 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.400000000000006 110.864 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.2 tp -94.57 -34.21 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.340000000000003 110.882 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -90.83 -27.5 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -99.22 -26.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.89 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.888 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.726 0.298 . . . . 73.239999999999995 110.944 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -24.56 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 72.019999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.1 21.09 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 74.299999999999997 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -57.19 -20.0 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -58.05 -26.49 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.310000000000002 110.929 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.39 -5.32 46.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.895 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 10' ' ' ILE . 10.9 mm -102.3 -37.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 111.148 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.539 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 14.7 t -49.07 -26.18 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.450000000000003 111.158 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.05 -50.79 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.442 . . . . 65.209999999999994 111.139 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -96.29 -22.17 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.104 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' HB2' HG22 ' A' ' 7' ' ' ILE . 2.8 t60 -55.26 -20.16 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.200000000000003 110.846 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.23 -17.39 59.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -119.27 -20.17 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.120000000000005 110.909 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 18' ' ' THR . 1.1 m-85 -77.25 -25.64 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.855 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -57.55 -47.7 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.903 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -57.28 -23.31 47.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 53.130000000000003 110.883 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' HG ' HD12 ' A' ' 21' ' ' LEU . 23.1 tp -83.64 -33.6 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 14' ' ' PHE . 21.1 p -63.58 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 34.229999999999997 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -61.35 -18.05 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 110.839 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -108.23 -16.12 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.625 HD12 ' HG ' ' A' ' 17' ' ' LEU . 15.3 mt -112.04 -74.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.927 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -52.33 -37.38 55.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -29.92 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.510000000000005 110.842 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 55.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 73.349999999999994 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.89 -24.09 17.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.23 20.86 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.941 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -57.66 -19.51 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.91 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.77 0.33 57.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 62.340000000000003 110.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.5 mm -101.5 -38.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 61.219999999999999 111.137 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.18 -30.34 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 55.149999999999999 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -53.64 53.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.119999999999997 111.198 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -22.66 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 55.350000000000001 111.156 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.5 t60 -54.81 -20.21 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.841 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.4 -18.24 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.88 -20.36 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 70.209999999999994 110.905 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.76 -26.13 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.861 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -56.43 -25.44 50.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.838 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -25.68 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 63.219999999999999 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' HG ' HD12 ' A' ' 21' ' ' LEU . 35.2 tp -88.29 -33.71 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.905 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 70.9 p -51.3 -34.56 33.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.118 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -29.12 8.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.861 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -114.88 -25.14 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.863 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.904 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -119.65 -31.1 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -34.45 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.874 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.864 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 110.932 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -32.57 33.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.917 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.87 27.77 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.929 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -63.06 -15.65 57.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.130000000000003 110.94 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.58 -26.6 68.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.893 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.3 -7.16 48.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 110.871 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.7 mm -88.76 -36.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.19 -25.91 4.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.13 -56.17 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.1 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 111.18 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.71 -19.37 10.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -17.88 58.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.862 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.86 -18.64 8.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.9 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -25.97 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.439999999999998 110.898 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -55.85 -27.14 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.83 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -69.2 -25.78 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.903 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.702 HD23 HD11 ' A' ' 21' ' ' LEU . 14.6 tp -89.6 -33.0 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 21' ' ' LEU . 59.9 p -55.84 -37.45 68.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 111.096 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -25.69 42.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.895 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -102.72 -26.26 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.540000000000006 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD23 ' A' ' 17' ' ' LEU . 16.6 mt -69.32 -74.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 110.911 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -52.47 -33.09 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -33.22 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.409999999999997 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.906 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 64.409999999999997 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -33.37 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.19 28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -62.48 -16.06 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 71.319999999999993 110.96 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.94 -30.01 69.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.956 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.57 -7.19 56.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.736 ' O ' HD13 ' A' ' 10' ' ' ILE . 8.6 mm -89.14 -36.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 72.109999999999999 111.093 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 20.1 p -50.17 -25.93 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.349999999999994 111.165 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -61.09 -56.19 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.230000000000004 111.137 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.04 -24.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.239999999999995 111.128 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 21.4 t60 -55.66 -19.4 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.869 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -76.62 -17.9 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.87 -18.65 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 54.149999999999999 110.882 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.11 -25.21 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.230000000000004 110.927 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -54.73 -30.41 56.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -25.16 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.21 -33.22 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 64.409999999999997 110.949 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.8 p -55.89 -37.33 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 111.159 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -62.41 -22.11 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.864 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -104.99 -16.18 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 110.867 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.9 tp -89.21 -34.81 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.94 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -87.61 -26.3 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 70.310000000000002 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.010000000000005 110.856 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.019999999999996 110.812 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.739 0.304 . . . . 70.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -21.29 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 65.329999999999998 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 17.75 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.64 -20.14 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.010000000000005 110.926 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.11 -28.86 65.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.150000000000006 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.62 2.31 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.66 -38.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.530000000000001 111.204 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -47.99 -30.24 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 70.200000000000003 111.152 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.14 -53.68 52.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.092 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.32 -22.65 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 54.539999999999999 111.178 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.7 t60 -54.94 -20.08 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 60.420000000000002 110.872 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -75.46 -18.26 59.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.95 -20.1 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.98 -19.59 57.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.833 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -58.04 -23.1 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -76.19 -17.28 59.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD23 HD12 ' A' ' 21' ' ' LEU . 37.4 tp -81.27 -30.05 34.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.919 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 p -50.37 -33.21 19.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.129 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -29.91 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 70.25 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -24.05 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.85 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -56.92 -69.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.945 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -120.24 -31.26 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.876 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -26.42 61.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 50.049999999999997 110.847 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.120000000000005 110.879 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 70.519999999999996 110.963 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -24.07 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.914 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.26 20.86 2.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.140000000000001 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -57.63 -19.57 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 73.219999999999999 110.907 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -58.25 -29.15 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.229999999999997 110.9 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.6 0.36 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 71.209999999999994 110.911 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.759 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.5 -38.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.136 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.4 p -48.16 -30.37 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 111.168 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.576 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.61 53.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.179 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.33 -22.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.145 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.4 t60 -54.85 -20.16 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.120000000000005 110.89 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -18.13 59.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 63.439999999999998 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.98 -20.2 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.91 -26.05 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -56.16 -26.07 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.898 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -25.57 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.925 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tp -86.13 -33.33 20.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.4 p -55.63 -37.49 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.127 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -21.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.842 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -15.61 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.150000000000006 110.825 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HD12 ' A' ' 21' ' ' LEU . 4.0 tp -90.23 -34.59 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 62.240000000000002 110.921 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -92.01 -29.94 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.876 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.15 27.78 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 62.030000000000001 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.899 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -31.96 25.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 73.030000000000001 110.904 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 27.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 70.349999999999994 110.892 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -61.55 -17.0 53.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.120000000000005 110.885 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.03 -29.9 67.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 110.962 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.63 1.15 56.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 75.319999999999993 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.74 ' O ' HD13 ' A' ' 10' ' ' ILE . 9.4 mm -101.49 -38.02 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 63.539999999999999 111.123 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 11' ' ' HIS . 19.2 p -48.15 -30.37 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.162 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.01 -53.69 52.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 111.197 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.29 -22.66 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.157 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 8' ' ' THR . 15.3 t60 -54.84 -20.18 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.869 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -18.18 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -20.16 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.310000000000002 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.76 -23.17 52.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 54.109999999999999 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -55.95 -24.72 39.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -14.71 55.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.140000000000001 110.91 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 -46.42 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.873 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.209999999999994 111.174 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.51 60.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.87 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -19.31 65.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.5 -55.93 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.937 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.51 -34.53 50.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -67.29 -32.6 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.150000000000006 110.921 -179.912 . . . . . . . . 0 0 . 1 stop_ save_