data_6uxs_residue ############################ # Computer software used # ############################ 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 6uxs _Structure_validation_residue.Date_analyzed 2020-11-20 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 . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 73.11 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -97.46 149.71 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.896 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -129.64 123.39 31.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.15 111.14 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 74.23 111.124 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.946 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? 64.02 107.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.147 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.857 0.361 . . . . 72.13 110.965 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.808 0.337 . . . . 73.11 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -98.13 150.22 21.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -129.97 124.6 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 65.04 111.179 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.15 111.088 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.712 0.292 . . . . 74.23 111.2 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.9 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.951 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.09 107.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 72.33 111.149 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.873 0.368 . . . . 72.13 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.938 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 73.11 110.968 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -97.37 149.29 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -129.76 123.47 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.04 111.142 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 74.15 111.146 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.736 0.303 . . . . 74.23 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.8 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.96 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 64.06 107.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.805 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.147 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.8 0.333 . . . . 72.13 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.808 0.337 . . . . 73.11 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -97.1 149.26 22.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 74.02 110.908 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 m -129.9 123.75 31.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 65.04 111.143 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.15 111.157 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.705 0.288 . . . . 74.23 111.151 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.952 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 64.16 107.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.848 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.156 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 72.13 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.866 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 73.11 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -98.32 150.08 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 m -129.46 124.09 33.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 65.04 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 74.15 111.115 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.708 0.289 . . . . 74.23 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.89 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 74.52 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.1 107.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.824 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.093 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.365 . . . . 72.13 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.831 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.771 0.32 . . . . 73.11 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -98.16 149.98 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.852 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -129.62 123.78 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 65.04 111.158 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.15 111.107 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 74.23 111.156 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.95 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 74.52 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 75.32 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.116 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.768 0.318 . . . . 72.13 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.86 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.34 . . . . 73.11 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -97.82 149.54 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.9 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 m -129.52 123.73 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 65.04 111.199 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 74.15 111.121 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.752 0.311 . . . . 74.23 111.123 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.88 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.913 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? 64.11 107.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.33 111.119 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 72.13 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.866 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 73.11 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -97.87 149.59 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.02 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 m -129.63 123.99 32.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.151 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.15 111.172 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.797 0.332 . . . . 74.23 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.94 -34.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.1 107.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.102 -179.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.845 0.355 . . . . 72.13 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 73.11 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -97.18 149.12 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.875 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m -129.73 123.6 31.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 65.04 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.15 111.088 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 74.23 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.77 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.52 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 63.94 107.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.929 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.33 111.105 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 72.13 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.91 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.836 0.351 . . . . 73.11 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.5 148.89 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.02 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -129.37 122.69 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 65.04 111.11 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.15 111.085 179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.772 0.32 . . . . 74.23 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.05 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? 64.2 107.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.396 . . . . 75.32 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 72.33 111.105 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 72.13 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.872 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.11 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -97.81 149.31 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 74.02 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 m -129.53 123.49 31.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 65.04 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.081 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.718 0.294 . . . . 74.23 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.92 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 74.52 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.11 107.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.87 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.33 111.064 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 72.13 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 73.11 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.8 149.21 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 74.02 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 m -129.36 122.92 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.04 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 74.15 111.103 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.713 0.292 . . . . 74.23 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.885 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.32 110.814 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.33 111.134 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.339 . . . . 72.13 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.876 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 73.11 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -98.25 150.35 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 m -130.15 124.33 32.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.04 111.158 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.15 111.189 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.782 0.325 . . . . 74.23 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -179.06 -33.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.933 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 64.08 107.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.33 111.16 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.834 0.349 . . . . 72.13 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.43 110.828 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 73.11 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -97.83 149.26 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.875 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m -129.39 122.84 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.04 111.142 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.7 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.15 111.134 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.782 0.325 . . . . 74.23 111.162 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.909 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? 64.2 107.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.882 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 72.33 111.059 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 72.13 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.866 0.365 . . . . 73.11 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -97.03 149.47 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 m -129.69 123.31 30.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 65.04 111.188 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.15 111.105 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.761 0.315 . . . . 74.23 111.179 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.93 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.922 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 63.99 107.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.91 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.111 -179.882 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 72.13 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 73.11 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -97.5 149.2 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 m -129.89 123.59 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.04 111.195 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.076 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.789 0.328 . . . . 74.23 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -178.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.05 107.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 75.32 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.095 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.784 0.326 . . . . 72.13 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 73.11 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -98.49 149.97 22.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.921 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -129.62 124.38 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.04 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.15 111.14 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.335 . . . . 74.23 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.06 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.52 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.32 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.33 111.096 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.869 0.366 . . . . 72.13 110.945 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 73.11 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -98.5 149.97 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.02 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 m -129.65 124.13 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 65.04 111.121 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.15 111.096 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.77 0.319 . . . . 74.23 111.16 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.1 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 107.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.869 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.163 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.849 0.357 . . . . 72.13 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.909 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 73.11 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -97.27 149.58 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.849 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m -129.57 123.48 31.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 65.04 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 74.15 111.052 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.312 . . . . 74.23 111.19 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.04 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 74.52 110.96 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? 64.05 107.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.32 110.874 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.138 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.877 0.37 . . . . 72.13 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.87 0.367 . . . . 73.11 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -98.47 149.92 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 m -129.63 124.07 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 65.04 111.148 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.15 111.141 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 74.23 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.08 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.07 107.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.153 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.779 0.324 . . . . 72.13 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.856 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.3 -169.86 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.36 . . . . 73.11 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -97.46 149.71 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.896 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -129.64 123.39 31.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.1 mt -146.25 127.8 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.15 111.14 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 54.44 26.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 74.33 112.511 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.88 -176.52 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.124 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.946 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? 64.02 107.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.94 -39.79 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.147 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 85.29 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.965 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.94 134.98 31.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.996 0 O-C-N 119.646 -1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.62 -169.84 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 73.11 110.937 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -98.13 150.22 21.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -129.97 124.6 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 65.04 111.179 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mt -146.27 128.44 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.15 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.12 56.68 15.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 74.33 112.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.73 -176.29 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.23 111.2 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.9 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.951 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.09 107.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.41 -39.95 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 72.33 111.149 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -104.73 84.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.93 142.98 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.938 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.014 0 O-C-N 119.582 -1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.4 -169.81 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 73.11 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -97.37 149.29 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -129.76 123.47 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.04 111.142 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.6 mt -146.03 130.23 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 74.15 111.146 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 56.6 16.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.465 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.85 -176.74 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 74.23 111.135 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.8 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.96 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 64.06 107.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.805 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.27 -39.53 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.147 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -104.47 86.78 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -60.61 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.006 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.51 -169.79 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 73.11 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -97.1 149.26 22.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 74.02 110.908 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 m -129.9 123.75 31.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 65.04 111.143 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mt -146.2 127.86 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.15 111.157 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.24 55.07 23.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 74.33 112.468 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -176.82 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 74.23 111.151 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.952 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 64.16 107.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.848 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.46 -39.64 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.156 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -104.15 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.941 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -51.89 -30.22 23.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.018 0 O-C-N 119.645 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.13 -169.77 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 73.11 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -98.32 150.08 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 m -129.46 124.09 33.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 65.04 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.7 mt -146.36 125.69 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 74.15 111.115 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 52.59 35.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.45 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.01 -176.13 2.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.128 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.89 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 74.52 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.1 107.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.824 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.43 -39.95 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.093 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 2.1 mm-40 -104.39 84.34 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -5.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.831 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -1.98 0 O-C-N 119.578 -1.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.37 -169.82 2.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.771 0.32 . . . . 73.11 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -98.16 149.98 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.852 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -129.62 123.78 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 65.04 111.158 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.8 mt -146.13 127.13 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.15 111.107 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 54.63 25.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 74.33 112.485 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 -176.18 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 74.23 111.156 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.95 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 74.52 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 75.32 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.39 -39.94 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.116 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.58 84.25 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.854 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.07 100.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.86 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.966 0 O-C-N 119.596 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.86 -169.84 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 73.11 110.91 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -97.82 149.54 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.9 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 m -129.52 123.73 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 65.04 111.199 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt -146.17 125.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 74.15 111.121 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.25 52.2 37.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 74.33 112.501 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.79 -176.46 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.123 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.88 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.913 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? 64.11 107.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.14 -39.88 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 72.33 111.119 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.39 85.37 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.94 142.97 14.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.866 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.967 0 O-C-N 119.592 -1.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.8 -169.87 2.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 73.11 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -97.87 149.59 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.02 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 m -129.63 123.99 32.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 65.04 111.151 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mt -146.25 129.25 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.15 111.172 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 56.46 16.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 74.33 112.442 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -176.38 3.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 74.23 111.131 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.94 -34.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.1 107.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.31 -39.96 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.102 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.62 85.19 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.015 0 O-C-N 119.657 -1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -92.0 -169.82 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 73.11 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -97.18 149.12 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.875 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m -129.73 123.6 31.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 65.04 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.0 mt -146.01 131.01 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.15 111.088 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.23 57.25 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.484 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -176.9 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.117 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.77 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.52 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 63.94 107.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.929 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -109.95 -39.31 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.33 111.105 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.761 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 7.8 mt-30 -104.35 87.64 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.871 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.91 25.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.91 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . 0.761 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -2.001 0 O-C-N 119.665 -1.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.38 -169.85 2.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 73.11 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.5 148.89 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.02 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -129.37 122.69 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 65.04 111.11 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.2 mt -145.53 125.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.15 111.085 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.06 52.22 36.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 74.33 112.492 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.85 -176.45 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.23 111.138 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.05 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? 64.2 107.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.396 . . . . 75.32 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.07 -39.71 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 72.33 111.105 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -104.45 85.7 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.962 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 116.75 2.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.006 0 O-C-N 119.646 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.0 -169.82 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 73.11 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -97.81 149.31 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 74.02 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 m -129.53 123.49 31.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 65.04 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt -145.93 128.95 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.081 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 56.06 18.55 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.75 -0.738 . . . . 74.33 112.4 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.48 -176.43 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.179 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.92 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 74.52 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.11 107.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.87 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.2 -39.95 4.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.33 111.064 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -104.53 85.26 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.13 110.949 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -66.27 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.998 0 O-C-N 119.645 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.77 -169.8 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 73.11 110.976 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.8 149.21 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 74.02 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 m -129.36 122.92 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.04 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.8 mt -145.6 127.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 74.15 111.103 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.04 54.09 27.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 74.33 112.459 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.04 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.23 111.2 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.885 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.32 110.814 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.33 -39.98 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.33 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.876 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.048 0 O-C-N 119.613 -1.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.46 -169.82 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 73.11 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -98.25 150.35 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 m -130.15 124.33 32.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.04 111.158 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.3 mt -146.46 128.58 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.15 111.189 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.29 57.54 13.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 74.33 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -175.76 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.147 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -179.06 -33.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.933 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 64.08 107.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.39 -39.99 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.33 111.16 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -104.27 84.12 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.92 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.95 166.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.43 110.828 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.007 0 O-C-N 119.635 -1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.52 -169.8 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 73.11 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -97.83 149.26 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.875 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m -129.39 122.84 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.04 111.142 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.7 mt -145.37 128.25 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.15 111.134 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.09 55.39 21.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 74.33 112.474 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 -176.39 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.909 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? 64.2 107.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.882 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.47 -40.0 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 72.33 111.059 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.41 84.93 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.13 110.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.96 103.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.013 0 O-C-N 119.652 -1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -91.1 -169.84 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 73.11 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -97.03 149.47 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 m -129.69 123.31 30.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 65.04 111.188 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.5 mt -146.05 126.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.15 111.105 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 53.79 29.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 74.33 112.455 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.55 -176.08 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.179 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.93 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.922 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 63.99 107.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.91 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.38 -39.45 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.111 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.677 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 80.7 mt-30 -103.24 86.35 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.966 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.93 14.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . 0.677 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -1.986 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.91 -169.86 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 73.11 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -97.5 149.2 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 m -129.89 123.59 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.04 111.195 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mt -145.73 130.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.18 57.78 12.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 74.33 112.51 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 -176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.111 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -178.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.05 107.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 75.32 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.0 -39.28 5.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.095 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.54 87.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 132.81 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.829 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.001 0 O-C-N 119.549 -1.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.26 -169.84 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.381 . . . . 73.11 110.828 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -98.49 149.97 22.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.921 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -129.62 124.38 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.04 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.6 mt -146.28 129.53 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.15 111.14 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.17 57.06 14.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 74.33 112.433 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 -176.08 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 74.23 111.166 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.06 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.52 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.32 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.45 -39.97 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.33 111.096 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.6 84.49 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -56.74 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.013 0 O-C-N 119.607 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.11 -169.84 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.892 0.377 . . . . 73.11 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -98.5 149.97 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.02 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 m -129.65 124.13 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 65.04 111.121 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mt -146.19 126.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.15 111.096 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 53.69 29.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 74.33 112.462 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -176.04 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.16 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.1 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 107.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.869 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.35 -39.97 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.163 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.64 84.29 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.91 -42.05 62.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.003 0 O-C-N 119.618 -1.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.85 -169.77 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 73.11 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -97.27 149.58 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.849 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m -129.57 123.48 31.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 65.04 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mt -146.3 126.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 74.15 111.052 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.12 54.26 27.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 74.33 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.83 -176.06 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.19 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.04 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 74.52 110.96 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? 64.05 107.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.32 110.874 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.44 -39.47 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.138 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.24 86.4 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.859 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -57.09 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.91 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.005 0 O-C-N 119.61 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 42.2 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.75 -169.89 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.367 . . . . 73.11 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -98.47 149.92 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 m -129.63 124.07 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 65.04 111.148 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mt -146.14 126.18 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.15 111.141 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.17 53.69 29.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 74.33 112.533 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.58 -176.03 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.151 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.08 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.07 107.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.08 -39.81 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.06 85.35 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 135.89 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.856 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.004 0 O-C-N 119.612 -1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 73.109999999999999 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.744 ' CE ' HD11 ' A' ' 4' ' ' ILE . 20.2 tttp -97.46 149.71 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -129.64 123.39 31.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 65.040000000000006 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 ' CE ' ' A' ' 2' ' ' LYS . 43.1 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.150000000000006 111.14 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 74.230000000000004 111.124 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.946 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? 64.02 107.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.147 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.857 0.361 . . . . 72.129999999999995 110.965 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -98.13 150.22 21.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 64.299999999999997 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -129.97 124.6 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 65.040000000000006 111.179 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 111.088 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.712 0.292 . . . . 74.230000000000004 111.2 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.9 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 74.519999999999996 110.951 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.09 107.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.149 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.873 0.368 . . . . 72.129999999999995 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.938 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 73.109999999999999 110.968 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -97.37 149.29 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -129.76 123.47 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.040000000000006 111.142 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 74.150000000000006 111.146 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.736 0.303 . . . . 74.230000000000004 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.8 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.96 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 64.06 107.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.805 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 61.0 111.147 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.8 0.333 . . . . 72.129999999999995 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' CE ' HD11 ' A' ' 4' ' ' ILE . 13.9 tttp -97.1 149.26 22.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 64.299999999999997 110.908 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 m -129.9 123.75 31.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 65.040000000000006 111.143 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.528 HD11 ' CE ' ' A' ' 2' ' ' LYS . 40.9 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.157 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.705 0.288 . . . . 74.230000000000004 111.151 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.952 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 64.16 107.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.848 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 61.0 111.156 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 72.129999999999995 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.866 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 73.109999999999999 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -98.32 150.08 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 64.299999999999997 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 m -129.46 124.09 33.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 74.150000000000006 111.115 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.708 0.289 . . . . 74.230000000000004 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.89 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 74.519999999999996 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.1 107.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.824 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.093 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.365 . . . . 72.129999999999995 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.831 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.771 0.32 . . . . 73.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HE3' HD11 ' A' ' 4' ' ' ILE . 27.1 tttp -98.16 149.98 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.852 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -129.62 123.78 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 65.040000000000006 111.158 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.737 HD11 ' HE3' ' A' ' 2' ' ' LYS . 46.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 111.107 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 74.230000000000004 111.156 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.95 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 74.519999999999996 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 75.319999999999993 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.116 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.768 0.318 . . . . 72.129999999999995 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.86 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.34 . . . . 73.109999999999999 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HE2' HD11 ' A' ' 4' ' ' ILE . 7.6 tttt -97.82 149.54 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 64.299999999999997 110.9 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 m -129.52 123.73 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 65.040000000000006 111.199 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.444 HD11 ' HE2' ' A' ' 2' ' ' LYS . 40.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 74.150000000000006 111.121 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.752 0.311 . . . . 74.230000000000004 111.123 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.88 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.913 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? 64.11 107.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 75.319999999999993 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 61.0 111.119 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 72.129999999999995 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.866 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -97.87 149.59 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 64.299999999999997 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 m -129.63 123.99 32.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 65.040000000000006 111.151 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.150000000000006 111.172 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.797 0.332 . . . . 74.230000000000004 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.94 -34.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.1 107.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.319999999999993 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.0 111.102 -179.859 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.845 0.355 . . . . 72.129999999999995 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -97.18 149.12 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.299999999999997 110.875 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m -129.73 123.6 31.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 111.088 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 74.230000000000004 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.77 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 63.94 107.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.929 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.0 111.105 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 72.129999999999995 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.430000000000007 110.91 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.836 0.351 . . . . 73.109999999999999 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.5 148.89 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -129.37 122.69 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 65.040000000000006 111.11 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.085 179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.772 0.32 . . . . 74.230000000000004 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.05 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? 64.2 107.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.396 . . . . 75.319999999999993 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 61.0 111.105 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 72.129999999999995 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.872 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -97.81 149.31 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 64.299999999999997 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 m -129.53 123.49 31.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 65.040000000000006 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 111.081 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.718 0.294 . . . . 74.230000000000004 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.92 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.11 107.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 110.87 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.064 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 72.129999999999995 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 73.109999999999999 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.8 149.21 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 64.299999999999997 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 m -129.36 122.92 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.040000000000006 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 74.150000000000006 111.103 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.713 0.292 . . . . 74.230000000000004 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.885 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.319999999999993 110.814 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.134 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.339 . . . . 72.129999999999995 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 110.876 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 4' ' ' ILE . 53.8 tttt -98.25 150.35 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 64.299999999999997 110.856 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 m -130.15 124.33 32.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.040000000000006 111.158 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 2' ' ' LYS . 49.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 111.189 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -179.06 -33.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 110.933 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 64.08 107.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.0 111.16 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.834 0.349 . . . . 72.129999999999995 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.430000000000007 110.828 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -97.83 149.26 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 64.299999999999997 110.875 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m -129.39 122.84 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.040000000000006 111.142 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.7 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.134 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 111.162 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.909 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? 64.2 107.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.882 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 61.0 111.059 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 72.129999999999995 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.754 ' HE2' HD11 ' A' ' 4' ' ' ILE . 11.7 tttp -97.03 149.47 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 m -129.69 123.31 30.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 65.040000000000006 111.188 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.754 HD11 ' HE2' ' A' ' 2' ' ' LYS . 44.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.150000000000006 111.105 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.761 0.315 . . . . 74.230000000000004 111.179 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.93 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 74.519999999999996 110.922 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 63.99 107.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.91 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 61.0 111.111 -179.882 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 72.129999999999995 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 73.109999999999999 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -97.5 149.2 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 m -129.89 123.59 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.040000000000006 111.195 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.150000000000006 111.076 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -178.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.05 107.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 75.319999999999993 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.095 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.784 0.326 . . . . 72.129999999999995 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 73.109999999999999 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 4' ' ' ILE . 12.4 tttp -98.49 149.97 22.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.921 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -129.62 124.38 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.040000000000006 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.502 HD11 ' HE3' ' A' ' 2' ' ' LYS . 42.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.14 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.335 . . . . 74.230000000000004 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.06 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.519999999999996 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.319999999999993 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 61.0 111.096 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.869 0.366 . . . . 72.129999999999995 110.945 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 73.109999999999999 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -98.5 149.97 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 64.299999999999997 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 m -129.65 124.13 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 65.040000000000006 111.121 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.096 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.77 0.319 . . . . 74.230000000000004 111.16 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.1 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 107.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.869 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 61.0 111.163 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.849 0.357 . . . . 72.129999999999995 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.909 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 73.109999999999999 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.664 ' CE ' HD11 ' A' ' 4' ' ' ILE . 16.9 tttp -97.27 149.58 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.849 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m -129.57 123.48 31.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 65.040000000000006 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.664 HD11 ' CE ' ' A' ' 2' ' ' LYS . 42.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 74.150000000000006 111.052 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.312 . . . . 74.230000000000004 111.19 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.04 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 74.519999999999996 110.96 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? 64.05 107.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.319999999999993 110.874 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 61.0 111.138 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.87 0.367 . . . . 73.109999999999999 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -98.47 149.92 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 m -129.63 124.07 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 111.148 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 111.141 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 74.230000000000004 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.08 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.07 107.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 61.0 111.153 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.779 0.324 . . . . 72.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.430000000000007 110.856 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.3 -169.86 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.36 . . . . 73.109999999999999 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.744 ' CE ' HD11 ' A' ' 4' ' ' ILE . 20.2 tttp -97.46 149.71 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -129.64 123.39 31.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 65.040000000000006 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 ' CE ' ' A' ' 2' ' ' LYS . 43.1 mt -146.25 127.8 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.150000000000006 111.14 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.626 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 54.44 26.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 64.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.88 -176.52 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 111.124 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.946 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? 64.02 107.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.94 -39.79 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 85.29 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.965 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.94 134.98 31.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.996 0 O-C-N 119.646 -1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.62 -169.84 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.937 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -98.13 150.22 21.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 64.299999999999997 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -129.97 124.6 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 65.040000000000006 111.179 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.636 HG22 ' HG2' ' A' ' 5' ' ' ALY . 49.1 mt -146.27 128.44 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 111.088 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.636 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.12 56.68 15.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 64.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.73 -176.29 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 111.2 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.9 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 74.519999999999996 110.951 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.09 107.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.41 -39.95 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -104.73 84.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.129999999999995 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.93 142.98 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.938 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.014 0 O-C-N 119.582 -1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.4 -169.81 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 73.109999999999999 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -97.37 149.29 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -129.76 123.47 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.040000000000006 111.142 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.635 HG22 ' HG2' ' A' ' 5' ' ' ALY . 39.6 mt -146.03 130.23 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 74.150000000000006 111.146 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.635 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 56.6 16.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.763 -0.732 . . . . 64.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.85 -176.74 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 74.230000000000004 111.135 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.8 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.96 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 64.06 107.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.805 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.27 -39.53 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 61.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -104.47 86.78 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.129999999999995 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -60.61 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.006 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.51 -169.79 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' CE ' HD11 ' A' ' 4' ' ' ILE . 13.9 tttp -97.1 149.26 22.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 64.299999999999997 110.908 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 m -129.9 123.75 31.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 65.040000000000006 111.143 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.653 HG22 ' HG2' ' A' ' 5' ' ' ALY . 40.9 mt -146.2 127.86 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.157 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.653 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.24 55.07 23.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 64.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -176.82 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 74.230000000000004 111.151 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.471 ' CZ3' HH33 ' A' ' 5' ' ' ALY . 4.1 p90 -178.82 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.952 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 64.16 107.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.848 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.46 -39.64 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 61.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -104.15 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.941 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -51.89 -30.22 23.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.018 0 O-C-N 119.645 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.13 -169.77 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 73.109999999999999 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -98.32 150.08 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 64.299999999999997 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 m -129.46 124.09 33.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.622 HG22 ' HG2' ' A' ' 5' ' ' ALY . 44.7 mt -146.36 125.69 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 74.150000000000006 111.115 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.622 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 52.59 35.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 64.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.01 -176.13 2.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 111.128 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.89 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 74.519999999999996 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.1 107.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.824 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.43 -39.95 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 2.1 mm-40 -104.39 84.34 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -5.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.831 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -1.98 0 O-C-N 119.578 -1.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.37 -169.82 2.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.771 0.32 . . . . 73.109999999999999 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HE3' HD11 ' A' ' 4' ' ' ILE . 27.1 tttp -98.16 149.98 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.852 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -129.62 123.78 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 65.040000000000006 111.158 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.737 HD11 ' HE3' ' A' ' 2' ' ' LYS . 46.8 mt -146.13 127.13 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 111.107 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.618 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 54.63 25.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 64.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 -176.18 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 74.230000000000004 111.156 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.95 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 74.519999999999996 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 75.319999999999993 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.39 -39.94 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.58 84.25 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.854 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.07 100.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.86 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.966 0 O-C-N 119.596 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.86 -169.84 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 73.109999999999999 110.91 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HE2' HD11 ' A' ' 4' ' ' ILE . 7.6 tttt -97.82 149.54 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 64.299999999999997 110.9 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 m -129.52 123.73 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 65.040000000000006 111.199 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.625 HG22 ' HG2' ' A' ' 5' ' ' ALY . 40.1 mt -146.17 125.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 74.150000000000006 111.121 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.625 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.25 52.2 37.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 64.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.79 -176.46 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 111.123 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.88 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.913 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? 64.11 107.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 75.319999999999993 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.14 -39.88 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 61.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.39 85.37 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.94 142.97 14.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.866 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.967 0 O-C-N 119.592 -1.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.8 -169.87 2.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 73.109999999999999 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -97.87 149.59 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 64.299999999999997 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 m -129.63 123.99 32.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 65.040000000000006 111.151 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.638 HG22 ' HG2' ' A' ' 5' ' ' ALY . 41.0 mt -146.25 129.25 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.150000000000006 111.172 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.638 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 56.46 16.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -176.38 3.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 74.230000000000004 111.131 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.94 -34.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.1 107.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.319999999999993 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.31 -39.96 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.0 111.102 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.62 85.19 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.015 0 O-C-N 119.657 -1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -92.0 -169.82 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -97.18 149.12 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.299999999999997 110.875 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m -129.73 123.6 31.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.632 HG22 ' HG2' ' A' ' 5' ' ' ALY . 39.0 mt -146.01 131.01 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 111.088 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.632 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.23 57.25 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 64.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -176.9 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 111.117 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.77 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 63.94 107.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.929 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -109.95 -39.31 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.761 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 7.8 mt-30 -104.35 87.64 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.871 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.91 25.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.430000000000007 110.91 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . 0.761 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -2.001 0 O-C-N 119.665 -1.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.38 -169.85 2.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 73.109999999999999 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.5 148.89 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -129.37 122.69 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 65.040000000000006 111.11 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.662 HG22 ' HG2' ' A' ' 5' ' ' ALY . 39.2 mt -145.53 125.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.085 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.662 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.06 52.22 36.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 64.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.85 -176.45 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 111.138 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.05 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? 64.2 107.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.396 . . . . 75.319999999999993 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.07 -39.71 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 61.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -104.45 85.7 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.962 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 116.75 2.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.006 0 O-C-N 119.646 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.0 -169.82 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 73.109999999999999 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -97.81 149.31 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 64.299999999999997 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 m -129.53 123.49 31.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 65.040000000000006 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.622 HG22 ' HG2' ' A' ' 5' ' ' ALY . 41.6 mt -145.93 128.95 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 111.081 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.622 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 56.06 18.55 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.75 -0.738 . . . . 64.0 112.4 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.48 -176.43 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 111.179 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.92 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.11 107.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 110.87 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.2 -39.95 4.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.064 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -104.53 85.26 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.129999999999995 110.949 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -66.27 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.998 0 O-C-N 119.645 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.77 -169.8 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 73.109999999999999 110.976 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.8 149.21 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 64.299999999999997 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 m -129.36 122.92 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.040000000000006 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 5' ' ' ALY . 40.8 mt -145.6 127.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 74.150000000000006 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.598 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.04 54.09 27.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 64.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.04 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.2 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.885 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.319999999999993 110.814 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.33 -39.98 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.129999999999995 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 110.876 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.048 0 O-C-N 119.613 -1.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.46 -169.82 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 4' ' ' ILE . 53.8 tttt -98.25 150.35 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 64.299999999999997 110.856 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 m -130.15 124.33 32.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.040000000000006 111.158 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 2' ' ' LYS . 49.3 mt -146.46 128.58 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 111.189 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.639 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.29 57.54 13.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 64.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -175.76 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.147 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -179.06 -33.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 110.933 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 64.08 107.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.39 -39.99 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -104.27 84.12 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.92 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.95 166.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.430000000000007 110.828 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.007 0 O-C-N 119.635 -1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.52 -169.8 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -97.83 149.26 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 64.299999999999997 110.875 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m -129.39 122.84 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.040000000000006 111.142 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.59 HG22 ' HG2' ' A' ' 5' ' ' ALY . 38.7 mt -145.37 128.25 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.134 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.59 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.09 55.39 21.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 64.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 -176.39 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.909 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? 64.2 107.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.882 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.47 -40.0 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 61.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.41 84.93 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.96 103.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.013 0 O-C-N 119.652 -1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -91.1 -169.84 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.754 ' HE2' HD11 ' A' ' 4' ' ' ILE . 11.7 tttp -97.03 149.47 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 m -129.69 123.31 30.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 65.040000000000006 111.188 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.754 HD11 ' HE2' ' A' ' 2' ' ' LYS . 44.5 mt -146.05 126.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.150000000000006 111.105 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.612 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 53.79 29.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 64.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.55 -176.08 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 111.179 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.93 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 74.519999999999996 110.922 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 63.99 107.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.91 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.38 -39.45 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 61.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.677 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 80.7 mt-30 -103.24 86.35 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.966 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.93 14.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . 0.677 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -1.986 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.91 -169.86 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 73.109999999999999 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -97.5 149.2 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 m -129.89 123.59 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.040000000000006 111.195 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.623 HG22 ' HG2' ' A' ' 5' ' ' ALY . 42.3 mt -145.73 130.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.150000000000006 111.076 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.623 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.18 57.78 12.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 64.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 -176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 111.111 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -178.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.05 107.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 75.319999999999993 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.0 -39.28 5.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.095 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.54 87.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 132.81 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.829 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.001 0 O-C-N 119.549 -1.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.26 -169.84 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.381 . . . . 73.109999999999999 110.828 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 4' ' ' ILE . 12.4 tttp -98.49 149.97 22.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.921 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -129.62 124.38 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.040000000000006 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.639 HG22 ' HG2' ' A' ' 5' ' ' ALY . 42.6 mt -146.28 129.53 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.639 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.17 57.06 14.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 64.0 112.433 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 -176.08 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 74.230000000000004 111.166 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.06 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.519999999999996 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.319999999999993 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.45 -39.97 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 61.0 111.096 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.6 84.49 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -56.74 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.013 0 O-C-N 119.607 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.11 -169.84 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.892 0.377 . . . . 73.109999999999999 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -98.5 149.97 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 64.299999999999997 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 m -129.65 124.13 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 65.040000000000006 111.121 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.618 HG22 ' HG2' ' A' ' 5' ' ' ALY . 44.4 mt -146.19 126.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.096 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.618 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 53.69 29.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 64.0 112.462 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -176.04 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 111.16 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.1 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 107.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.869 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.35 -39.97 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 61.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.64 84.29 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.91 -42.05 62.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.003 0 O-C-N 119.618 -1.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.85 -169.77 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 73.109999999999999 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.664 ' CE ' HD11 ' A' ' 4' ' ' ILE . 16.9 tttp -97.27 149.58 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.849 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m -129.57 123.48 31.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 65.040000000000006 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.7 HG22 ' HG2' ' A' ' 5' ' ' ALY . 42.3 mt -146.3 126.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 74.150000000000006 111.052 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.7 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.12 54.26 27.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 64.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.83 -176.06 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 111.19 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.04 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 74.519999999999996 110.96 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? 64.05 107.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.319999999999993 110.874 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.44 -39.47 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 61.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.24 86.4 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.859 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -57.09 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.91 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.005 0 O-C-N 119.61 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.75 -169.89 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.367 . . . . 73.109999999999999 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -98.47 149.92 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 m -129.63 124.07 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 111.148 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' ' 5' ' ' ALY . 44.6 mt -146.14 126.18 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 111.141 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALY . . . . . 0.615 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.17 53.69 29.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 64.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.58 -176.03 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 111.151 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.08 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.07 107.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.08 -39.81 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 61.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.06 85.35 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 135.89 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.430000000000007 110.856 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.004 0 O-C-N 119.612 -1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 73.109999999999999 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.744 ' CE ' HD11 ' A' ' 4' ' ' ILE . 20.2 tttp -97.46 149.71 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -129.64 123.39 31.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 65.040000000000006 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 ' CE ' ' A' ' 2' ' ' LYS . 43.1 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.150000000000006 111.14 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 74.230000000000004 111.124 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.946 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? 64.02 107.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.147 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.857 0.361 . . . . 72.129999999999995 110.965 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -98.13 150.22 21.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 64.299999999999997 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -129.97 124.6 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 65.040000000000006 111.179 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 111.088 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.712 0.292 . . . . 74.230000000000004 111.2 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.9 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 74.519999999999996 110.951 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.09 107.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.149 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.873 0.368 . . . . 72.129999999999995 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.938 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 73.109999999999999 110.968 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -97.37 149.29 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -129.76 123.47 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.040000000000006 111.142 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 74.150000000000006 111.146 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.736 0.303 . . . . 74.230000000000004 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.8 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.96 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 64.06 107.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.805 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 61.0 111.147 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.8 0.333 . . . . 72.129999999999995 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' CE ' HD11 ' A' ' 4' ' ' ILE . 13.9 tttp -97.1 149.26 22.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 64.299999999999997 110.908 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 m -129.9 123.75 31.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 65.040000000000006 111.143 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.528 HD11 ' CE ' ' A' ' 2' ' ' LYS . 40.9 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.157 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.705 0.288 . . . . 74.230000000000004 111.151 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.952 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 64.16 107.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.848 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 61.0 111.156 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 72.129999999999995 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.866 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 73.109999999999999 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -98.32 150.08 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 64.299999999999997 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 m -129.46 124.09 33.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 74.150000000000006 111.115 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.708 0.289 . . . . 74.230000000000004 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.89 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 74.519999999999996 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.1 107.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.824 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.093 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.868 0.365 . . . . 72.129999999999995 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.831 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.771 0.32 . . . . 73.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HE3' HD11 ' A' ' 4' ' ' ILE . 27.1 tttp -98.16 149.98 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.852 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -129.62 123.78 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 65.040000000000006 111.158 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.737 HD11 ' HE3' ' A' ' 2' ' ' LYS . 46.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 111.107 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.715 0.293 . . . . 74.230000000000004 111.156 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.95 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 74.519999999999996 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 75.319999999999993 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.116 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.768 0.318 . . . . 72.129999999999995 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.86 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.815 0.34 . . . . 73.109999999999999 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HE2' HD11 ' A' ' 4' ' ' ILE . 7.6 tttt -97.82 149.54 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 64.299999999999997 110.9 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 m -129.52 123.73 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 65.040000000000006 111.199 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.444 HD11 ' HE2' ' A' ' 2' ' ' LYS . 40.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 74.150000000000006 111.121 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.752 0.311 . . . . 74.230000000000004 111.123 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.88 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.913 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? 64.11 107.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 75.319999999999993 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 61.0 111.119 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 72.129999999999995 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.866 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -97.87 149.59 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 64.299999999999997 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 m -129.63 123.99 32.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 65.040000000000006 111.151 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.150000000000006 111.172 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.797 0.332 . . . . 74.230000000000004 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.94 -34.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.1 107.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.319999999999993 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.0 111.102 -179.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.845 0.355 . . . . 72.129999999999995 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -97.18 149.12 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.299999999999997 110.875 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m -129.73 123.6 31.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 111.088 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 74.230000000000004 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.77 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 63.94 107.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.929 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.0 111.105 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 72.129999999999995 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.430000000000007 110.91 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.836 0.351 . . . . 73.109999999999999 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.5 148.89 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -129.37 122.69 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 65.040000000000006 111.11 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.085 179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.772 0.32 . . . . 74.230000000000004 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.05 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? 64.2 107.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.396 . . . . 75.319999999999993 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 61.0 111.105 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 72.129999999999995 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.872 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -97.81 149.31 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 64.299999999999997 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 m -129.53 123.49 31.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 65.040000000000006 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 111.081 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.718 0.294 . . . . 74.230000000000004 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.92 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.11 107.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 110.87 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.064 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 72.129999999999995 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 73.109999999999999 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.8 149.21 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 64.299999999999997 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 m -129.36 122.92 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.040000000000006 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 74.150000000000006 111.103 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.713 0.292 . . . . 74.230000000000004 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.885 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.319999999999993 110.814 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.134 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.339 . . . . 72.129999999999995 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 110.876 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 4' ' ' ILE . 53.8 tttt -98.25 150.35 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 64.299999999999997 110.856 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 m -130.15 124.33 32.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.040000000000006 111.158 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 2' ' ' LYS . 49.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 111.189 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -179.06 -33.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 110.933 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 64.08 107.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.0 111.16 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.834 0.349 . . . . 72.129999999999995 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.430000000000007 110.828 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -97.83 149.26 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 64.299999999999997 110.875 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m -129.39 122.84 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.040000000000006 111.142 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.7 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.134 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 111.162 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.909 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? 64.2 107.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.882 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 61.0 111.059 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 72.129999999999995 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.754 ' HE2' HD11 ' A' ' 4' ' ' ILE . 11.7 tttp -97.03 149.47 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 m -129.69 123.31 30.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 65.040000000000006 111.188 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.754 HD11 ' HE2' ' A' ' 2' ' ' LYS . 44.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.150000000000006 111.105 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.761 0.315 . . . . 74.230000000000004 111.179 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.93 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 74.519999999999996 110.922 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 63.99 107.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.91 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 61.0 111.111 -179.882 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 72.129999999999995 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.812 0.339 . . . . 73.109999999999999 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -97.5 149.2 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 m -129.89 123.59 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.040000000000006 111.195 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.150000000000006 111.076 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 111.111 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -178.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.05 107.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 75.319999999999993 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.095 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.784 0.326 . . . . 72.129999999999995 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 73.109999999999999 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 4' ' ' ILE . 12.4 tttp -98.49 149.97 22.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.921 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -129.62 124.38 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.040000000000006 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.502 HD11 ' HE3' ' A' ' 2' ' ' LYS . 42.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.14 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.335 . . . . 74.230000000000004 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.06 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.519999999999996 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.319999999999993 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 61.0 111.096 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.869 0.366 . . . . 72.129999999999995 110.945 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 73.109999999999999 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -98.5 149.97 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 64.299999999999997 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 m -129.65 124.13 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 65.040000000000006 111.121 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.096 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.77 0.319 . . . . 74.230000000000004 111.16 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.1 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 107.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.869 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 61.0 111.163 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.849 0.357 . . . . 72.129999999999995 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.909 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 73.109999999999999 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.664 ' CE ' HD11 ' A' ' 4' ' ' ILE . 16.9 tttp -97.27 149.58 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.849 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m -129.57 123.48 31.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 65.040000000000006 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.664 HD11 ' CE ' ' A' ' 2' ' ' LYS . 42.3 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 74.150000000000006 111.052 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.312 . . . . 74.230000000000004 111.19 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.04 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 74.519999999999996 110.96 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? 64.05 107.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.319999999999993 110.874 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 61.0 111.138 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.87 0.367 . . . . 73.109999999999999 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -98.47 149.92 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 m -129.63 124.07 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 111.148 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 111.141 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 74.230000000000004 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.08 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.07 107.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 61.0 111.153 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.779 0.324 . . . . 72.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.430000000000007 110.856 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.3 -169.86 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.36 . . . . 73.109999999999999 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.744 ' CE ' HD11 ' A' ' 4' ' ' ILE . 20.2 tttp -97.46 149.71 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -129.64 123.39 31.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 65.040000000000006 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 ' CE ' ' A' ' 2' ' ' LYS . 43.1 mt -146.25 127.8 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.150000000000006 111.14 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.626 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 54.44 26.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 64.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.88 -176.52 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 111.124 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.82 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.946 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? 64.02 107.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.94 -39.79 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 85.29 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.965 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.94 134.98 31.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.996 0 O-C-N 119.646 -1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.62 -169.84 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.937 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -98.13 150.22 21.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 64.299999999999997 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -129.97 124.6 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 65.040000000000006 111.179 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.636 HG22 ' HG2' ' A' ' 5' ' ' ALY . 49.1 mt -146.27 128.44 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 111.088 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.636 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.12 56.68 15.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 64.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.73 -176.29 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 111.2 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.9 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 74.519999999999996 110.951 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.09 107.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.41 -39.95 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -104.73 84.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.129999999999995 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.93 142.98 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 110.938 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.014 0 O-C-N 119.582 -1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.4 -169.81 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 73.109999999999999 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -97.37 149.29 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -129.76 123.47 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.040000000000006 111.142 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.635 HG22 ' HG2' ' A' ' 5' ' ' ALY . 39.6 mt -146.03 130.23 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 74.150000000000006 111.146 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.635 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 56.6 16.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.763 -0.732 . . . . 64.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.85 -176.74 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 74.230000000000004 111.135 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.8 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.96 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 64.06 107.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.805 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.27 -39.53 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 61.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -104.47 86.78 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.129999999999995 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -60.61 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.430000000000007 110.919 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.006 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.51 -169.79 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' CE ' HD11 ' A' ' 4' ' ' ILE . 13.9 tttp -97.1 149.26 22.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 64.299999999999997 110.908 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 m -129.9 123.75 31.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 65.040000000000006 111.143 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.653 HG22 ' HG2' ' A' ' 5' ' ' ALY . 40.9 mt -146.2 127.86 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.157 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.653 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.24 55.07 23.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 64.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -176.82 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 74.230000000000004 111.151 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.471 ' CZ3' HH33 ' A' ' 5' ' ' ALY . 4.1 p90 -178.82 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.952 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 64.16 107.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.848 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.46 -39.64 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 61.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -104.15 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.941 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -51.89 -30.22 23.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.018 0 O-C-N 119.645 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.13 -169.77 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 73.109999999999999 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -98.32 150.08 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 64.299999999999997 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.4 m -129.46 124.09 33.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 111.116 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.622 HG22 ' HG2' ' A' ' 5' ' ' ALY . 44.7 mt -146.36 125.69 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 74.150000000000006 111.115 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.622 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 52.59 35.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 64.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.01 -176.13 2.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 111.128 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -178.89 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 74.519999999999996 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.1 107.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.824 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.43 -39.95 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 2.1 mm-40 -104.39 84.34 2.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -5.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.831 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -1.98 0 O-C-N 119.578 -1.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.37 -169.82 2.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.771 0.32 . . . . 73.109999999999999 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HE3' HD11 ' A' ' 4' ' ' ILE . 27.1 tttp -98.16 149.98 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.852 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -129.62 123.78 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 65.040000000000006 111.158 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.737 HD11 ' HE3' ' A' ' 2' ' ' LYS . 46.8 mt -146.13 127.13 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 111.107 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.618 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 54.63 25.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 64.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 -176.18 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 74.230000000000004 111.156 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.95 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 74.519999999999996 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 75.319999999999993 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.39 -39.94 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.58 84.25 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.854 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.07 100.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.86 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.966 0 O-C-N 119.596 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.86 -169.84 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 73.109999999999999 110.91 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HE2' HD11 ' A' ' 4' ' ' ILE . 7.6 tttt -97.82 149.54 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 64.299999999999997 110.9 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 m -129.52 123.73 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 65.040000000000006 111.199 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.625 HG22 ' HG2' ' A' ' 5' ' ' ALY . 40.1 mt -146.17 125.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 74.150000000000006 111.121 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.625 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.25 52.2 37.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 64.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.79 -176.46 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 111.123 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.88 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.913 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? 64.11 107.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 75.319999999999993 110.899 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.14 -39.88 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 61.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.39 85.37 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.94 142.97 14.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.866 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.967 0 O-C-N 119.592 -1.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.8 -169.87 2.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 73.109999999999999 110.886 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -97.87 149.59 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 64.299999999999997 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 m -129.63 123.99 32.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 65.040000000000006 111.151 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.638 HG22 ' HG2' ' A' ' 5' ' ' ALY . 41.0 mt -146.25 129.25 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 74.150000000000006 111.172 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.638 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 56.46 16.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.32 -176.38 3.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 74.230000000000004 111.131 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.94 -34.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.937 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.1 107.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.319999999999993 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.31 -39.96 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.0 111.102 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.62 85.19 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.015 0 O-C-N 119.657 -1.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -92.0 -169.82 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.941 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -97.18 149.12 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.299999999999997 110.875 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 m -129.73 123.6 31.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 65.040000000000006 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.632 HG22 ' HG2' ' A' ' 5' ' ' ALY . 39.0 mt -146.01 131.01 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 111.088 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.632 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.23 57.25 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 64.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -176.9 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 111.117 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.77 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.951 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? 63.94 107.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 110.929 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -109.95 -39.31 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.761 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 7.8 mt-30 -104.35 87.64 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.871 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.91 25.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.430000000000007 110.91 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . 0.761 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -2.001 0 O-C-N 119.665 -1.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.38 -169.85 2.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 73.109999999999999 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.5 148.89 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 m -129.37 122.69 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 65.040000000000006 111.11 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.662 HG22 ' HG2' ' A' ' 5' ' ' ALY . 39.2 mt -145.53 125.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 111.085 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.662 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.06 52.22 36.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 64.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.85 -176.45 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 111.138 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.05 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.853 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? 64.2 107.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.396 . . . . 75.319999999999993 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.07 -39.71 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 61.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -104.45 85.7 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.962 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 116.75 2.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.006 0 O-C-N 119.646 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.0 -169.82 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 73.109999999999999 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -97.81 149.31 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 64.299999999999997 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.2 m -129.53 123.49 31.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 65.040000000000006 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.622 HG22 ' HG2' ' A' ' 5' ' ' ALY . 41.6 mt -145.93 128.95 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 111.081 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.622 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 56.06 18.55 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.75 -0.738 . . . . 64.0 112.4 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.48 -176.43 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 111.179 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -178.92 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 74.519999999999996 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.11 107.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 110.87 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.2 -39.95 4.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.064 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -104.53 85.26 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.129999999999995 110.949 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -66.27 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.998 0 O-C-N 119.645 -1.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.77 -169.8 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 73.109999999999999 110.976 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -97.8 149.21 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 64.299999999999997 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 m -129.36 122.92 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 65.040000000000006 111.159 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 5' ' ' ALY . 40.8 mt -145.6 127.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 74.150000000000006 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.598 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.04 54.09 27.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 64.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.04 -176.41 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.2 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.885 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.319999999999993 110.814 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.33 -39.98 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 61.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.49 84.93 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.129999999999995 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 110.876 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.048 0 O-C-N 119.613 -1.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.46 -169.82 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 4' ' ' ILE . 53.8 tttt -98.25 150.35 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 64.299999999999997 110.856 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 m -130.15 124.33 32.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 65.040000000000006 111.158 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 2' ' ' LYS . 49.3 mt -146.46 128.58 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 111.189 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.639 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.29 57.54 13.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 64.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -175.76 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.147 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -179.06 -33.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 110.933 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 64.08 107.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.319999999999993 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.39 -39.99 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -104.27 84.12 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.92 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.95 166.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.430000000000007 110.828 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.007 0 O-C-N 119.635 -1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.52 -169.8 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 73.109999999999999 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -97.83 149.26 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 64.299999999999997 110.875 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m -129.39 122.84 30.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 65.040000000000006 111.142 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.59 HG22 ' HG2' ' A' ' 5' ' ' ALY . 38.7 mt -145.37 128.25 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.134 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.59 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.09 55.39 21.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 64.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.14 -176.39 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.99 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 74.519999999999996 110.909 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? 64.2 107.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.882 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.47 -40.0 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 61.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -104.41 84.93 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.96 103.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.013 0 O-C-N 119.652 -1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -91.1 -169.84 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.754 ' HE2' HD11 ' A' ' 4' ' ' ILE . 11.7 tttp -97.03 149.47 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 m -129.69 123.31 30.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 65.040000000000006 111.188 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.754 HD11 ' HE2' ' A' ' 2' ' ' LYS . 44.5 mt -146.05 126.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.150000000000006 111.105 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.612 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.19 53.79 29.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 64.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.55 -176.08 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 111.179 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -178.93 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 74.519999999999996 110.922 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 63.99 107.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.91 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.38 -39.45 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 61.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.677 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 80.7 mt-30 -103.24 86.35 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.966 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.93 14.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . 0.677 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.29 -1.986 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -91.91 -169.86 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 73.109999999999999 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -97.5 149.2 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 m -129.89 123.59 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.040000000000006 111.195 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.623 HG22 ' HG2' ' A' ' 5' ' ' ALY . 42.3 mt -145.73 130.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.150000000000006 111.076 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.623 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.18 57.78 12.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 64.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 -176.76 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 111.111 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -178.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.861 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.05 107.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 75.319999999999993 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -110.0 -39.28 5.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.095 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.54 87.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 132.81 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.829 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.001 0 O-C-N 119.549 -1.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -89.26 -169.84 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.381 . . . . 73.109999999999999 110.828 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 4' ' ' ILE . 12.4 tttp -98.49 149.97 22.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.921 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -129.62 124.38 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.040000000000006 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.639 HG22 ' HG2' ' A' ' 5' ' ' ALY . 42.6 mt -146.28 129.53 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.639 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.17 57.06 14.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 64.0 112.433 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 -176.08 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 74.230000000000004 111.166 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.06 -34.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.519999999999996 110.841 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.19 107.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 75.319999999999993 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 t -111.45 -39.97 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 61.0 111.096 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.6 84.49 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -56.74 12.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.013 0 O-C-N 119.607 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.11 -169.84 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.892 0.377 . . . . 73.109999999999999 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -98.5 149.97 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 64.299999999999997 110.902 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 m -129.65 124.13 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 65.040000000000006 111.121 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.618 HG22 ' HG2' ' A' ' 5' ' ' ALY . 44.4 mt -146.19 126.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 111.096 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.618 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 53.69 29.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 64.0 112.462 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -176.04 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 111.16 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.1 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.519999999999996 110.939 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 107.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.869 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.35 -39.97 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 61.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -104.64 84.29 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.91 -42.05 62.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.003 0 O-C-N 119.618 -1.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -90.85 -169.77 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 73.109999999999999 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.664 ' CE ' HD11 ' A' ' 4' ' ' ILE . 16.9 tttp -97.27 149.58 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 64.299999999999997 110.849 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m -129.57 123.48 31.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 65.040000000000006 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.7 HG22 ' HG2' ' A' ' 5' ' ' ALY . 42.3 mt -146.3 126.08 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 74.150000000000006 111.052 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.7 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.12 54.26 27.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 64.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.83 -176.06 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 111.19 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.04 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 74.519999999999996 110.96 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? 64.05 107.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.319999999999993 110.874 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -110.44 -39.47 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 61.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.24 86.4 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.859 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -57.09 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.91 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.005 0 O-C-N 119.61 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 42.200000000000003 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -89.75 -169.89 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.367 . . . . 73.109999999999999 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -98.47 149.92 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 64.299999999999997 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 m -129.63 124.07 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 65.040000000000006 111.148 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' ' 5' ' ' ALY . 44.6 mt -146.14 126.18 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 111.141 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALY . . . . . 0.615 ' HG2' HG22 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.17 53.69 29.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 64.0 112.533 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.58 -176.03 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 111.151 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -179.08 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.07 107.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 t -111.08 -39.81 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 61.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.06 85.35 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.862 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 135.89 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.430000000000007 110.856 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.004 0 O-C-N 119.612 -1.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_