data_6j12_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 6j12 _Structure_validation_residue.Date_analyzed 2019-01-11 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 ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 74.01 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 30.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.1 110.858 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -26.51 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.5 p -119.7 71.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -74.59 72.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -98.59 -27.76 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.44 -25.83 10.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.49 -24.81 50.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -32.64 58.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.885 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -26.06 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -33.01 22.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.39 -29.42 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.07 -21.28 45.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.727 . . . . 54.1 112.447 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -84.49 -27.48 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 74.34 110.899 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.33 -32.2 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.126 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.97 -31.2 50.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.827 0.346 . . . . 75.11 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.43 -79.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 72.31 110.846 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -121.45 -40.0 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -19.54 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.937 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -97.68 -57.56 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.125 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -60.94 -18.36 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -52.02 -40.63 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -120.35 -33.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.3 -32.56 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.858 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 35.44 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.83 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.1 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 64.3 110.854 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.2 -31.78 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.888 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.35 -25.79 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -26.46 38.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 62.25 112.489 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -79.28 -29.86 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 72.13 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -31.28 23.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.44 111.185 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 54.03 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.854 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 74.41 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -71.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.856 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -88.54 -32.2 18.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -16.09 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.43 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -51.39 -33.37 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.11 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -102.65 -22.84 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -57.97 -75.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -120.07 -33.39 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -25.94 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.868 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -32.19 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.841 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -82.71 -32.63 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.03 110.895 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -26.99 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.895 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.82 -26.88 34.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 60.34 112.465 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -79.2 -28.35 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 73.22 110.886 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.5 -31.56 21.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.53 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.87 -27.57 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.863 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.35 . . . . 72.42 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -114.18 72.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.851 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 118.58 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.932 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -32.64 51.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.12 110.951 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.5 p -119.53 71.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.099 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.09 70.26 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.836 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -109.61 -32.23 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.836 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.06 -32.63 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.57 -26.76 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -26.61 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -28.95 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.87 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.92 -32.75 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 64.11 110.879 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.94 -23.72 47.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.486 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -82.09 -26.69 33.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.915 0.388 . . . . 64.43 110.938 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -31.93 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 71.24 111.158 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -30.53 25.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 75.0 110.838 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 61.05 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.02 -75.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.91 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -34.51 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.93 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.59 21.76 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.932 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 72.13 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 21.03 12.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -105.03 -34.95 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.894 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.01 24.28 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.908 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -116.2 -25.4 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.832 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -55.58 -30.94 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 74.15 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -72.92 -32.66 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -33.29 30.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.857 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -23.7 57.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.864 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -23.12 36.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 74.51 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.4 -24.91 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.989 0.423 . . . . 75.23 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -31.99 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.24 111.14 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -99.39 -34.12 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.868 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 71.31 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -36.49 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.42 110.846 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.94 102.15 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.54 39.3 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.79 -79.52 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 75.1 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.85 3.18 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.03 110.837 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.87 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -121.36 -35.81 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.918 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.59 -33.12 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.859 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -51.43 -35.12 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.857 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -120.06 19.99 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.865 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.72 -18.35 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.874 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -51.0 -37.85 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.67 31.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 73.53 112.508 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -104.98 -19.58 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 73.34 110.927 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -64.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 73.42 111.197 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.09 -25.75 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.893 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.917 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 73.24 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.86 24.7 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.851 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -69.48 -75.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.909 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.82 -24.33 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.88 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 p -116.63 70.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.171 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 68.25 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 64.03 110.887 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.908 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -112.59 36.57 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.903 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -118.34 -30.41 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.55 -31.73 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.846 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.89 -31.67 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.896 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -26.21 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.868 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -26.14 51.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 71.44 112.47 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.98 -26.28 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.95 0.405 . . . . 74.21 110.888 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -32.21 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.107 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.83 27.82 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 71.5 110.878 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.867 0.365 . . . . 72.33 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -92.9 94.34 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -93.88 -77.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.64 -6.7 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -109.05 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.161 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.32 70.05 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -75.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.887 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.67 -25.2 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.944 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.52 -25.71 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -80.34 -31.38 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.42 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -78.03 -29.43 49.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 75.04 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -80.46 -32.86 37.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.5 110.908 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -25.49 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.889 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.86 -25.88 31.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 64.01 112.501 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.75 -28.84 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 74.11 110.929 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -32.41 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.159 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.24 -32.59 16.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.875 0.369 . . . . 74.43 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -120.27 -75.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.54 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.98 -33.37 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.07 60.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 74.54 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -51.4 -33.24 29.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.54 111.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -103.15 -18.88 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.55 110.851 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -51.72 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.883 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.11 -33.79 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -55.23 -26.67 41.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -32.68 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.893 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.96 -31.08 12.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -32.92 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.856 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.69 -25.62 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -19.22 45.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 75.44 112.471 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.34 -26.11 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 74.1 110.906 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -25.43 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 64.21 111.179 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -106.86 -33.75 7.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.974 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 65.54 110.833 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.354 . . . . 75.22 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 27.83 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.21 110.856 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 119.01 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.99 33.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -119.97 71.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.148 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.06 71.08 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.85 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -94.75 -75.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.863 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.93 -29.15 10.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.91 -31.52 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.874 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -57.41 -28.61 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.853 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -76.28 -27.57 56.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.887 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.12 -31.77 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.863 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.37 -27.99 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.42 54.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 74.2 112.512 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 -26.35 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 72.43 110.932 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -74.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.1 111.142 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -75.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.938 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.898 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.87 0.367 . . . . 75.52 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.77 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.845 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 68.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 -1.78 41.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.933 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -51.07 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 73.13 111.119 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -121.59 51.35 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -114.09 -77.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -42.07 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.81 -23.05 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.54 110.898 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -95.57 24.57 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.31 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -75.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.853 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.847 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.97 -26.19 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -21.06 75.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 64.34 112.46 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -91.86 -31.44 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 71.31 110.896 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.15 -74.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.12 -29.86 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 74.11 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 74.44 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 -28.2 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.35 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -35.72 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.98 22.34 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -74.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.114 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.42 -9.09 58.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 72.24 110.904 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.07 -32.44 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 65.35 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -29.48 21.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.921 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -60.47 -33.61 72.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 71.41 110.842 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -118.28 24.02 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -18.37 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.859 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -50.45 -38.06 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.02 -27.01 29.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 75.44 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.91 -33.46 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 74.11 110.966 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.85 -74.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 70.44 111.121 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -28.07 30.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.982 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 74.24 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 43.59 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 72.2 110.891 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 -1.63 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.88 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 p -86.35 -11.28 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.14 111.166 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.44 101.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.02 -33.22 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 -32.97 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.43 -26.41 67.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.914 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.48 -30.02 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -76.26 -31.98 58.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -83.55 -32.95 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -26.32 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.875 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.87 -27.4 36.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.23 112.424 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -77.16 -29.13 54.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 73.44 110.873 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.98 -31.84 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.126 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.64 28.24 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.863 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.826 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 73.15 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -71.72 -26.56 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.1 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.08 120.31 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.873 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.34 16.07 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.41 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.0 p -120.13 72.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.76 53.3 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 65.31 110.837 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -61.33 -33.58 73.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 64.23 110.884 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.02 -33.16 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.39 -25.72 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -65.45 -31.67 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -118.47 25.84 10.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.873 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.05 -18.51 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -50.83 -37.71 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 64.12 110.889 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.46 -28.48 21.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 74.24 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.08 -33.64 50.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 74.42 110.92 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -39.86 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 73.02 111.14 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.01 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.86 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 74.15 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -120.07 -33.51 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.22 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -117.72 -34.45 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.4 20.97 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.04 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.44 111.171 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.93 0.6 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 71.52 110.875 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -52.09 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.44 -32.52 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 64.24 110.892 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -33.05 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.884 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -32.0 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -86.19 -29.56 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -27.6 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -28.18 63.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.845 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -25.15 34.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.12 112.497 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -80.92 -28.12 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 60.42 110.93 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 -31.01 19.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 64.25 111.12 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -32.48 44.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.837 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.868 0.366 . . . . 75.44 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -120.73 56.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.831 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -65.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.87 -91.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 65.4 110.896 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.8 -85.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.14 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -122.48 57.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.826 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 -8.06 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.909 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.04 -14.45 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.37 -33.25 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -120.02 27.52 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.837 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.64 -18.5 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.878 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -50.82 -37.63 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.49 -28.54 21.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -77.81 -33.7 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 75.53 110.96 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 73.33 111.158 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -30.06 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.885 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.369 . . . . 74.31 110.887 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -26.22 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 119.72 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.851 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 37.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.895 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.4 p -119.63 72.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.139 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -74.55 72.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -75.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.887 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 26.48 10.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -26.42 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 74.35 110.874 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -119.94 30.84 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -119.55 -32.72 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.819 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.83 -32.88 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.33 110.952 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.15 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.91 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.71 -19.19 54.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.23 -25.98 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 72.34 110.936 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.65 -74.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.151 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.78 59.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.878 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.897 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 75.2 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -75.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.869 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -103.15 80.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -112.3 31.03 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.891 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -89.67 -78.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -121.68 5.82 10.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.822 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -80.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.54 110.864 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.58 -25.02 5.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.49 11.39 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.866 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -50.17 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -26.18 41.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.859 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -26.96 39.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.901 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.71 -29.47 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.908 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.09 28.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 64.23 112.507 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.33 -32.51 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.949 0.404 . . . . 72.01 110.896 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -31.94 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.09 -29.73 64.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.905 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.87 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.871 0.367 . . . . 74.22 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -98.31 21.31 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 75.13 110.852 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -95.89 -77.54 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.58 -31.83 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.947 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.3 p -59.53 -34.09 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.55 111.161 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -11.41 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.874 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -71.54 -26.12 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -32.93 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.73 -24.99 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.97 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.86 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -118.79 25.1 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.867 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.22 -18.48 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -50.83 -37.67 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.47 -28.49 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 72.3 112.477 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.11 -33.58 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 75.14 110.938 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -39.83 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 72.43 111.118 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -32.0 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.938 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 75.33 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -97.34 -74.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.86 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.41 -75.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.01 29.89 7.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.907 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -88.68 -19.1 26.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.163 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -46.85 100.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -113.83 -32.28 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.79 -32.5 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -27.2 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.842 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -27.42 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 70.42 110.905 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -69.22 -32.07 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.88 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.32 -32.67 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.923 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -26.31 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -25.14 35.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 54.04 112.472 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.32 -27.04 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.991 0.424 . . . . 74.23 110.957 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -32.11 18.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 74.51 111.157 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.38 -30.06 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.336 . . . . 72.52 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -120.46 -75.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.929 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.68 -9.01 58.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.13 110.891 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.7 -25.65 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.04 111.162 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -33.1 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -91.29 115.61 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 63.01 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.24 -75.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.23 111.104 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -67.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.908 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -120.58 -3.36 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.11 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.41 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.94 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -98.87 23.98 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 30.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.1 110.858 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -26.51 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.5 p -119.7 71.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -74.59 72.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -98.59 -27.76 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.44 -25.83 10.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.49 -24.81 50.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -32.64 58.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.885 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -26.06 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -33.01 22.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.39 -29.42 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.07 -21.28 45.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.727 . . . . 54.1 112.447 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -84.49 -27.48 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 74.34 110.899 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.33 -32.2 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.126 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.97 -31.2 50.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.313 . . . . 75.12 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -120.5 -75.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -9.06 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 73.24 110.885 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.61 -25.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.148 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -30.97 62.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.118 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.17 115.82 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.114 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mt -120.12 -76.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 64.53 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -67.33 -13.23 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.821 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.14 -20.68 55.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.903 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 pp -114.98 -24.21 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.03 110.885 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -76.05 68.25 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.9 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.43 -79.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 72.31 110.846 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -121.45 -40.0 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -19.54 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.937 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -97.68 -57.56 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.125 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -60.94 -18.36 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -52.02 -40.63 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -120.35 -33.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.3 -32.56 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.858 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 35.44 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.83 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.1 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 64.3 110.854 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.2 -31.78 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.888 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.35 -25.79 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -26.46 38.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 62.25 112.489 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -79.28 -29.86 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 72.13 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -31.28 23.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.44 111.185 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 54.03 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.854 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 70.11 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.1 -79.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 75.02 110.933 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -103.32 2.36 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 74.45 110.86 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -16.56 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 75.13 111.184 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.95 17.66 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.137 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.38 71.21 10.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 74.01 111.183 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.2 -72.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.81 -28.47 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.05 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -51.9 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.41 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mp -51.89 -59.04 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.913 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -116.15 116.08 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.862 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -71.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.856 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -88.54 -32.2 18.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -16.09 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.43 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -51.39 -33.37 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.11 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -102.65 -22.84 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -57.97 -75.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -120.07 -33.39 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -25.94 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.868 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -32.19 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.841 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -82.71 -32.63 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.03 110.895 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -26.99 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.895 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.82 -26.88 34.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 60.34 112.465 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -79.2 -28.35 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 73.22 110.886 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.5 -31.56 21.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.53 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.87 -27.57 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.863 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.764 0.316 . . . . 73.22 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -105.93 -69.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.947 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -53.86 -20.66 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.04 -27.09 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.53 111.126 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 t -111.81 116.09 30.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.186 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -61.81 -22.72 65.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.14 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.68 -75.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.086 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.79 -15.17 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.865 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -57.56 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.854 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.35 52.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -77.54 59.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -114.18 72.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.851 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 118.58 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.932 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -32.64 51.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.12 110.951 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.5 p -119.53 71.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.099 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.09 70.26 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.836 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -109.61 -32.23 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.836 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.06 -32.63 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.57 -26.76 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -26.61 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -28.95 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.87 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.92 -32.75 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 64.11 110.879 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.94 -23.72 47.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.486 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -82.09 -26.69 33.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.915 0.388 . . . . 64.43 110.938 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -31.93 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 71.24 111.158 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -30.53 25.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 75.0 110.838 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 tttm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.771 0.32 . . . . 74.42 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -120.46 -75.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.898 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.61 -37.35 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 75.2 110.879 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.31 -5.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.33 111.19 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -12.13 60.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 74.1 111.148 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -88.04 100.48 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.12 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.35 111.173 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -74.28 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.804 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -121.89 27.79 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.872 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -98.6 71.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.957 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -119.16 115.48 24.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.05 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.02 -75.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.91 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -34.51 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.93 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.59 21.76 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.932 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 72.13 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 21.03 12.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -105.03 -34.95 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.894 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.01 24.28 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.908 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -116.2 -25.4 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.832 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -55.58 -30.94 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 74.15 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -72.92 -32.66 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -33.29 30.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.857 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -23.7 57.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.864 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -23.12 36.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 74.51 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.4 -24.91 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.989 0.423 . . . . 75.23 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -31.99 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.24 111.14 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -99.39 -34.12 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.868 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 74.52 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -120.76 -75.98 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.921 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -29.37 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.859 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.41 -13.68 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 73.14 111.128 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -110.23 120.24 41.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.149 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.159 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -109.02 -84.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.161 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -77.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.2 110.89 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.31 37.89 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.862 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mt -50.94 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -118.55 109.1 15.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.867 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -36.49 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.42 110.846 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.94 102.15 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.54 39.3 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.79 -79.52 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 75.1 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.85 3.18 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.03 110.837 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.87 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -121.36 -35.81 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.918 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.59 -33.12 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.859 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -51.43 -35.12 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.857 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -120.06 19.99 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.865 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.72 -18.35 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.874 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -51.0 -37.85 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.67 31.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 73.53 112.508 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -104.98 -19.58 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 73.34 110.927 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -64.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 73.42 111.197 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.09 -25.75 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.893 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.917 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.3 tttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.788 0.327 . . . . 72.42 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -120.27 -75.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.27 13.58 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.88 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -32.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 72.12 111.141 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 63.41 111.163 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 120.0 38.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 70.14 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -111.84 -74.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 71.04 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -70.12 -11.15 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.882 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.2 -38.72 30.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.905 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.23 23.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -30.04 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.873 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.86 24.7 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.851 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -69.48 -75.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.909 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.82 -24.33 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.88 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 p -116.63 70.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.171 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 68.25 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 64.03 110.887 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.908 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mp -112.59 36.57 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.903 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -118.34 -30.41 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.55 -31.73 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.846 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.89 -31.67 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.896 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -26.21 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.868 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -26.14 51.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 71.44 112.47 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.98 -26.28 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.95 0.405 . . . . 74.21 110.888 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -32.21 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.107 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.83 27.82 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 71.5 110.878 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 71.43 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -120.59 -75.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.37 -10.83 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.26 -22.51 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 72.02 111.171 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -112.81 120.62 42.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.143 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 -83.73 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.01 111.111 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.97 -79.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.13 111.143 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -20.29 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -53.21 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -121.34 80.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -113.22 -33.9 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.887 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -92.9 94.34 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -93.88 -77.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.64 -6.7 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -109.05 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.161 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.32 70.05 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -75.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.887 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.67 -25.2 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.944 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.52 -25.71 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -80.34 -31.38 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.42 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -78.03 -29.43 49.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 75.04 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -80.46 -32.86 37.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.5 110.908 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -25.49 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.889 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.86 -25.88 31.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 64.01 112.501 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.75 -28.84 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 74.11 110.929 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -32.41 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.159 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.24 -32.59 16.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.827 0.346 . . . . 75.31 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -121.35 -77.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.23 110.934 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -98.51 14.81 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.89 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.39 -30.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.54 111.146 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -8.35 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.15 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -91.44 97.81 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.129 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.4 -74.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 75.23 111.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.06 -31.63 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.884 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.24 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.896 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.25 -32.6 74.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.906 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -69.7 84.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -120.27 -75.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.54 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.98 -33.37 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.07 60.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 74.54 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -51.4 -33.24 29.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.54 111.158 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -103.15 -18.88 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.55 110.851 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -51.72 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.883 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.11 -33.79 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -55.23 -26.67 41.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -32.68 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.893 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.96 -31.08 12.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -32.92 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.856 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.69 -25.62 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -19.22 45.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 75.44 112.471 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.34 -26.11 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 74.1 110.906 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -25.43 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 64.21 111.179 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -106.86 -33.75 7.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.974 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 65.54 110.833 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 74.31 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -120.7 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 61.32 110.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.88 -18.84 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 73.52 110.899 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.32 -23.89 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.55 111.075 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 t -74.64 72.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.107 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.9 m -120.2 103.73 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.129 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.2 -81.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.1 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.26 -73.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.872 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -121.85 26.93 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.01 110.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mt -100.99 72.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.57 103.95 11.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.877 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 27.83 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.21 110.856 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 119.01 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.99 33.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -119.97 71.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.148 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.06 71.08 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.85 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -94.75 -75.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.863 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.93 -29.15 10.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.91 -31.52 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.874 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -57.41 -28.61 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.853 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -76.28 -27.57 56.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.887 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.12 -31.77 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.863 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.37 -27.99 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.42 54.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 74.2 112.512 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 -26.35 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 72.43 110.932 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -74.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.1 111.142 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -75.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.938 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.898 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.806 0.336 . . . . 75.24 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -120.48 -75.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.932 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.66 -9.02 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.69 -25.68 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.13 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -29.39 61.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 73.52 111.137 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.9 114.43 26.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 71.44 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.42 -86.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.151 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -122.1 8.11 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.838 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -76.24 56.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -118.74 19.51 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.21 110.874 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -72.04 120.24 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.895 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.77 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.845 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 68.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 -1.78 41.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.933 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -51.07 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 73.13 111.119 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -121.59 51.35 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -114.09 -77.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -42.07 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.81 -23.05 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.54 110.898 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -95.57 24.57 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.31 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -75.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.853 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.847 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.97 -26.19 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -21.06 75.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 64.34 112.46 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -91.86 -31.44 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 71.31 110.896 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.15 -74.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.12 -29.86 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 74.11 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 73.52 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -120.08 -74.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.61 -4.53 56.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.02 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.47 -20.74 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.52 111.116 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -29.1 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 63.04 111.14 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 83.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.111 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.28 -76.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.13 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -63.34 -16.21 59.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.862 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -75.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.04 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -52.08 42.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.92 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -115.2 117.85 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.855 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 -28.2 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.35 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -35.72 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.98 22.34 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -74.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.114 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.42 -9.09 58.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 72.24 110.904 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.07 -32.44 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 65.35 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -29.48 21.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.921 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -60.47 -33.61 72.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 71.41 110.842 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -118.28 24.02 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -18.37 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.859 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -50.45 -38.06 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.02 -27.01 29.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 75.44 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.91 -33.46 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 74.11 110.966 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.85 -74.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 70.44 111.121 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -28.07 30.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.982 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.797 0.332 . . . . 75.14 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.45 -76.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.901 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.24 -13.66 62.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.65 -24.39 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 75.1 111.103 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -26.82 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.149 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.06 107.41 8.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.45 111.179 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.37 -85.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.89 8.16 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.861 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -76.47 55.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -22.67 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.896 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.41 -30.79 20.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 43.59 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 72.2 110.891 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 -1.63 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.88 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 p -86.35 -11.28 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.14 111.166 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.44 101.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.02 -33.22 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 -32.97 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.43 -26.41 67.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.914 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.48 -30.02 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -76.26 -31.98 58.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -83.55 -32.95 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -26.32 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.875 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.87 -27.4 36.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.23 112.424 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -77.16 -29.13 54.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 73.44 110.873 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.98 -31.84 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.126 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.64 28.24 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.863 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.826 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.5 tttt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.815 0.34 . . . . 74.1 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -120.49 -75.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -9.09 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.63 -25.7 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.21 111.11 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.04 -28.21 43.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 75.41 111.171 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.48 45.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 72.31 111.114 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -86.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.14 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -121.86 5.7 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.88 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -76.98 56.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.53 110.915 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -120.01 18.5 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.932 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -67.52 88.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -71.72 -26.56 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.1 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.08 120.31 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.873 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.34 16.07 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.41 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.0 p -120.13 72.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.76 53.3 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 65.31 110.837 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -61.33 -33.58 73.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 64.23 110.884 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.02 -33.16 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.39 -25.72 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -65.45 -31.67 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -118.47 25.84 10.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.873 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.05 -18.51 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -50.83 -37.71 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 64.12 110.889 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.46 -28.48 21.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 74.24 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.08 -33.64 50.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 74.42 110.92 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -39.86 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 73.02 111.14 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.01 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.86 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 74.13 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.41 -76.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.7 -31.61 16.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.42 4.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.41 111.182 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.7 m -49.38 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.04 111.113 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 -81.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.2 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.5 -87.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.119 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.18 9.51 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.86 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.96 58.31 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 64.14 110.905 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 pp -85.5 5.66 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -54.19 120.24 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.87 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -120.07 -33.51 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.22 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -117.72 -34.45 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.4 20.97 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.04 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.44 111.171 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.93 0.6 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 71.52 110.875 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -52.09 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.44 -32.52 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 64.24 110.892 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -33.05 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.884 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -32.0 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -86.19 -29.56 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -27.6 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -28.18 63.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.845 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -25.15 34.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.12 112.497 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -80.92 -28.12 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 60.42 110.93 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 -31.01 19.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 64.25 111.12 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -32.48 44.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.837 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.753 0.311 . . . . 72.3 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -120.48 -75.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.92 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.55 -9.08 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.922 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 pp -60.65 -25.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.091 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -32.81 30.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.43 111.14 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -97.85 108.41 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 75.01 111.112 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.45 -75.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.076 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -120.93 -67.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.858 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.49 -3.66 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 70.23 110.879 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.28 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -96.38 21.79 8.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -120.73 56.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.831 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -65.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 75.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.87 -91.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 65.4 110.896 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.8 -85.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.14 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -122.48 57.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.826 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 -8.06 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.909 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.04 -14.45 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.37 -33.25 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -120.02 27.52 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.837 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.64 -18.5 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.878 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -50.82 -37.63 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.49 -28.54 21.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -77.81 -33.7 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 75.53 110.96 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 73.33 111.158 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -30.06 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.885 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 74.23 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -120.96 -82.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.85 14.21 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -24.91 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 74.23 111.101 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -48.63 123.48 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.137 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.77 98.69 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 71.45 111.086 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mt -120.04 -75.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 62.24 111.163 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -12.63 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 70.43 110.86 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -38.0 56.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 73.53 110.869 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.21 35.4 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.908 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.89 26.48 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.887 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -26.22 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 119.72 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.851 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 37.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.895 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.4 p -119.63 72.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.139 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -74.55 72.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -75.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.887 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 26.48 10.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -26.42 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 74.35 110.874 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -119.94 30.84 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -119.55 -32.72 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.819 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.83 -32.88 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.33 110.952 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.15 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.91 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.71 -19.19 54.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.23 -25.98 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 72.34 110.936 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.65 -74.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.151 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.78 59.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.878 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.897 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.781 0.324 . . . . 71.33 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -115.37 -74.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.918 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 -37.28 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 72.42 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -6.79 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.22 111.14 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -50.85 120.48 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 75.53 111.143 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.111 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 -82.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.165 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.44 4.75 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.865 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -30.85 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.1 110.869 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -76.57 65.22 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.93 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -77.28 61.71 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -75.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.869 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -103.15 80.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -112.3 31.03 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.891 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -89.67 -78.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -121.68 5.82 10.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.822 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -80.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.54 110.864 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.58 -25.02 5.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.49 11.39 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.866 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -50.17 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -26.18 41.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.859 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -26.96 39.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.901 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.71 -29.47 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.908 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.09 28.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 64.23 112.507 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.33 -32.51 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.949 0.404 . . . . 72.01 110.896 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -31.94 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.09 -29.73 64.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.905 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.87 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 73.41 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -105.31 -70.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.951 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -53.42 -20.89 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 61.12 110.902 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 pp -62.6 -27.36 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.1 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 t -111.78 120.03 40.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.155 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.08 111.55 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.115 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -68.48 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.098 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.18 13.35 12.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 74.4 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -41.2 -36.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 59.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 75.04 110.942 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -71.85 -21.81 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -98.31 21.31 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 75.13 110.852 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -95.89 -77.54 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.58 -31.83 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.947 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.3 p -59.53 -34.09 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.55 111.161 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -11.41 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.874 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -71.54 -26.12 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -32.93 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.73 -24.99 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.97 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.86 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -118.79 25.1 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.867 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.22 -18.48 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -50.83 -37.67 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.47 -28.49 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 72.3 112.477 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.11 -33.58 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 75.14 110.938 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -39.83 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 72.43 111.118 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -32.0 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.938 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.767 0.318 . . . . 73.55 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -114.33 -68.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.934 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -10.01 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.34 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -56.34 -19.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.146 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.64 20.29 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.153 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.42 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.24 -88.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.21 111.123 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -123.78 2.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -79.5 56.87 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -23.32 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.915 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -54.22 121.06 7.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.876 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -97.34 -74.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.86 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.41 -75.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.01 29.89 7.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.907 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -88.68 -19.1 26.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.163 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -46.85 100.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -113.83 -32.28 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.79 -32.5 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -27.2 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.842 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -27.42 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 70.42 110.905 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -69.22 -32.07 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.88 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.32 -32.67 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.923 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -26.31 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -25.14 35.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 54.04 112.472 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.32 -27.04 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.991 0.424 . . . . 74.23 110.957 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -32.11 18.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 74.51 111.157 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.38 -30.06 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 74.01 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 30.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.1 110.858 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 53.42 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -26.51 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.5 p -119.7 71.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -74.59 72.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -98.59 -27.76 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 64.42 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.44 -25.83 10.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.49 -24.81 50.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -32.64 58.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.885 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -26.06 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -33.01 22.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.39 -29.42 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.07 -21.28 45.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.727 . . . . 32.31 112.447 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -84.49 -27.48 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 73.44 110.899 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.33 -32.2 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.126 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.97 -31.2 50.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 65.55 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.827 0.346 . . . . 74.54 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.43 -79.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 72.31 110.846 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -121.45 -40.0 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -19.54 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.937 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -97.68 -57.56 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.125 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -60.94 -18.36 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -52.02 -40.63 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -120.35 -33.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.3 -32.56 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.858 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 35.44 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.83 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.1 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 63.33 110.854 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.2 -31.78 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 61.01 110.888 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.35 -25.79 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -26.46 38.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 62.25 112.489 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -79.28 -29.86 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 72.13 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -31.28 23.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.11 111.185 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 54.03 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.854 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.62 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.2 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 74.41 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -71.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.856 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -88.54 -32.2 18.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.8 -16.09 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 55.44 110.93 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -51.39 -33.37 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.11 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -102.65 -22.84 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -57.97 -75.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -120.07 -33.39 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -25.94 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.868 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -32.19 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.841 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -82.71 -32.63 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.03 110.895 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.51 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -26.99 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.895 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.82 -26.88 34.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 60.34 112.465 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -79.2 -28.35 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 64.42 110.886 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.5 -31.56 21.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.53 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.87 -27.57 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.863 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.35 . . . . 72.42 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -114.18 72.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.851 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 118.58 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.932 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD12 HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -53.48 -32.64 51.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.03 110.951 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 14' ' ' LEU . 75.5 p -119.53 71.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.26 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.836 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -109.61 -32.23 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.836 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.06 -32.63 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.57 -26.76 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -26.61 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -28.95 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.87 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.92 -32.75 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 62.2 110.879 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.94 -23.72 47.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.486 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -82.09 -26.69 33.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.915 0.388 . . . . 64.23 110.938 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -31.93 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 61.35 111.158 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -30.53 25.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 75.0 110.838 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 53.12 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.02 -75.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.91 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.4 -34.51 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.93 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -94.59 21.76 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.35 110.932 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 72.13 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 21.03 12.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 53.33 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -105.03 -34.95 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 70.24 110.894 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.01 24.28 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.908 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -116.2 -25.4 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.832 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -55.58 -30.94 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -72.92 -32.66 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -33.29 30.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 62.11 110.857 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -23.7 57.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.864 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -23.12 36.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 74.51 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.4 -24.91 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.989 0.423 . . . . 72.34 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -31.99 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.24 111.14 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . 4.5 tp -99.39 -34.12 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.868 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 71.31 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -36.49 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.42 110.846 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.94 102.15 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.54 39.3 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.79 -79.52 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.85 3.18 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.837 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.87 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -121.36 -35.81 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 72.01 110.918 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.59 -33.12 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.859 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -51.43 -35.12 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 61.51 110.857 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -120.06 19.99 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.865 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.72 -18.35 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.874 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -51.0 -37.85 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.67 31.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 73.53 112.508 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -104.98 -19.58 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 72.23 110.927 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -64.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 55.01 111.197 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.6 pp -88.09 -25.75 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.917 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 72.13 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.86 24.7 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 70.21 110.851 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -69.48 -75.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.909 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.82 -24.33 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.88 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 p -116.63 70.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 55.2 111.171 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 68.25 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 63.12 110.887 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -51.91 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.908 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 17' ' ' ARG . 3.8 mp -112.59 36.57 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -118.34 -30.41 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.55 -31.73 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.846 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.89 -31.67 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 51.11 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -26.21 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.15 110.868 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -26.14 51.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 71.44 112.47 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.98 -26.28 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.95 0.405 . . . . 74.21 110.888 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -32.21 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.107 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.83 27.82 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.878 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.867 0.365 . . . . 72.31 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -92.9 94.34 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.2 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -93.88 -77.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.64 -6.7 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -109.05 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.161 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.32 70.05 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 41.41 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -75.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.887 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.67 -25.2 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 60.54 110.944 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.52 -25.71 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -80.34 -31.38 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.32 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -78.03 -29.43 49.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 75.04 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -80.46 -32.86 37.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.5 110.908 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -25.49 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.889 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.86 -25.88 31.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 51.55 112.501 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.75 -28.84 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 74.11 110.929 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -32.41 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.159 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.24 -32.59 16.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.516 ' HD1' HG22 ' A' ' 15' ' ' THR . 18.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.875 0.369 . . . . 74.43 110.849 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -120.27 -75.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.54 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.98 -33.37 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -65.88 -14.07 60.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 62.23 110.912 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.516 HG22 ' HD1' ' A' ' 11' ' ' PHE . 29.3 p -51.4 -33.24 29.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.54 111.158 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -103.15 -18.88 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.55 110.851 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -51.72 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.883 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.11 -33.79 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -55.23 -26.67 41.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 64.21 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -32.68 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.893 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.96 -31.08 12.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.904 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -32.92 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.856 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.69 -25.62 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -19.22 45.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.471 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.34 -26.11 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 73.35 110.906 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -25.43 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 44.42 111.179 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . 4.8 tp -106.86 -33.75 7.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.974 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 65.52 110.833 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.354 . . . . 74.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 27.83 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.4 110.856 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 119.01 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.99 33.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -119.97 71.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 63.54 111.148 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.06 71.08 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.85 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -94.75 -75.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.863 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.93 -29.15 10.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.91 -31.52 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.874 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -57.41 -28.61 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.13 110.853 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -76.28 -27.57 56.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.887 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.12 -31.77 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.863 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.37 -27.99 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.42 54.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 74.2 112.512 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 -26.35 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 72.43 110.932 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -74.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.1 111.142 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -75.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.938 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.898 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.642 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.1 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.87 0.367 . . . . 64.21 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.77 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.845 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 68.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -80.04 -1.78 41.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.933 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -51.07 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 73.13 111.119 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -121.59 51.35 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -114.09 -77.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 71.52 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -42.07 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.81 -23.05 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.898 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -95.57 24.57 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.31 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -75.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.853 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.847 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.97 -26.19 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -21.06 75.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 64.34 112.46 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -91.86 -31.44 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 71.31 110.896 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.15 -74.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.12 -29.86 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 74.11 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.2 p90 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 74.44 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 -28.2 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.35 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -35.72 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -94.98 22.34 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.936 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -64.35 -74.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.114 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -72.42 -9.09 58.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 65.1 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 70.14 110.904 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.07 -32.44 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 64.35 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -29.48 21.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.921 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -60.47 -33.61 72.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 71.4 110.842 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -118.28 24.02 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -18.37 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.859 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -50.45 -38.06 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.02 -27.01 29.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 54.22 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.91 -33.46 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 71.3 110.966 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.85 -74.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 70.44 111.121 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -28.07 30.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.982 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 72.31 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 43.59 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 72.12 110.891 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 -1.63 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.88 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 p -86.35 -11.28 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.14 111.166 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.44 101.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.02 -33.22 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 71.02 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 -32.97 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 64.11 110.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.43 -26.41 67.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.35 110.914 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.48 -30.02 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -76.26 -31.98 58.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.05 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -83.55 -32.95 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -26.32 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.875 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.87 -27.4 36.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 50.53 112.424 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -77.16 -29.13 54.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 73.44 110.873 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.98 -31.84 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.126 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.64 28.24 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.863 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.3 110.826 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 73.15 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -71.72 -26.56 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.1 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.08 120.31 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.873 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.34 16.07 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.41 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.0 p -120.13 72.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.76 53.3 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 65.31 110.837 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -61.33 -33.58 73.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 61.35 110.884 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.02 -33.16 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.39 -25.72 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.55 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -65.45 -31.67 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -118.47 25.84 10.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.873 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.05 -18.51 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.431 ' HD2' HD12 ' A' ' 27' ' ' LEU . 33.8 p90 -50.83 -37.71 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 55.33 110.889 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.46 -28.48 21.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.22 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.08 -33.64 50.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 74.42 110.92 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -39.86 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 73.02 111.14 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD12 ' HD2' ' A' ' 23' ' ' PHE . 5.0 mt -64.01 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.4 110.96 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.86 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 74.15 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -120.07 -33.51 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 60.42 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG2' HD23 ' A' ' 14' ' ' LEU . 8.2 ptmt -117.72 -34.45 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.898 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.4 20.97 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.04 110.954 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.44 111.171 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.93 0.6 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 71.22 110.875 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -52.09 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.44 -32.52 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 62.31 110.892 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -33.05 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.884 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -32.0 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -86.19 -29.56 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -27.6 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -28.18 63.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.845 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -25.15 34.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 43.22 112.497 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -80.92 -28.12 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 60.42 110.93 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 -31.01 19.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 64.25 111.12 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -32.48 44.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.837 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.868 0.366 . . . . 70.24 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -120.73 56.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.02 110.831 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG3' HD23 ' A' ' 14' ' ' LEU . 5.5 tptm -65.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mm? -120.87 -91.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 65.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.8 -85.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 55.52 111.14 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -122.48 57.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.826 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 -8.06 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.909 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.04 -14.45 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.37 -33.25 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.52 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -120.02 27.52 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.837 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.64 -18.5 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 62.53 110.878 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -50.82 -37.63 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.49 -28.54 21.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -77.81 -33.7 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 72.4 110.96 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 55.24 111.158 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -30.06 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.885 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.369 . . . . 70.0 110.887 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -26.22 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 119.72 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.851 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 37.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.895 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.4 p -119.63 72.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.139 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -74.55 72.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -75.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.887 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 26.48 10.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 60.31 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -26.42 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.874 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -119.94 30.84 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -119.55 -32.72 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.819 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.83 -32.88 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.33 110.952 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.15 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.91 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.71 -19.19 54.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.23 -25.98 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 72.34 110.936 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.65 -74.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.151 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.78 59.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.878 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.897 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB3' HD22 ' A' ' 14' ' ' LEU . 40.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 72.33 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -75.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.869 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -103.15 80.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 11' ' ' PHE . 1.5 pt? -112.3 31.03 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 42.5 110.891 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -89.67 -78.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -121.68 5.82 10.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.822 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -80.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.33 110.864 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.58 -25.02 5.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 63.03 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.49 11.39 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.866 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -50.17 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -26.18 41.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.859 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -26.96 39.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 64.01 110.901 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.422 ' HE2' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -52.71 -29.47 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.908 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.09 28.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 64.23 112.507 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.33 -32.51 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.949 0.404 . . . . 71.31 110.896 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -31.94 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 63.34 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.09 -29.73 64.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.1 110.905 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 54.55 110.87 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.871 0.367 . . . . 74.22 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -98.31 21.31 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.852 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -95.89 -77.54 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.58 -31.83 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.947 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.3 p -59.53 -34.09 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 61.53 111.161 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -11.41 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.874 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -71.54 -26.12 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -32.93 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.917 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.73 -24.99 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.97 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.86 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -118.79 25.1 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.867 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.22 -18.48 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -50.83 -37.67 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.47 -28.49 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 72.3 112.477 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.11 -33.58 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 75.14 110.938 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -39.83 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 64.11 111.118 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -32.0 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.938 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 75.33 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -97.34 -74.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.86 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HD3' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -120.41 -75.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.88 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -120.01 29.89 7.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.907 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -88.68 -19.1 26.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.163 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -46.85 100.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -113.83 -32.28 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 71.13 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.79 -32.5 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.54 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -27.2 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.842 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -27.42 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.905 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -69.22 -32.07 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.88 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.32 -32.67 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.02 110.923 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -26.31 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 64.15 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -25.14 35.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 54.04 112.472 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.32 -27.04 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.991 0.424 . . . . 74.23 110.957 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -32.11 18.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 74.51 111.157 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.38 -30.06 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.01 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.336 . . . . 72.31 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -120.46 -75.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 71.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.68 -9.01 58.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.13 110.891 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.7 -25.65 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.04 111.162 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -84.71 -33.1 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 70.13 111.111 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' ' 11' ' ' PHE . 1.7 m -91.29 115.61 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 63.01 111.137 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.71 ' HB ' HD13 ' A' ' 10' ' ' LEU . 5.2 mp -108.24 -75.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.23 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -67.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.908 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -120.58 -3.36 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.11 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 7' ' ' ILE . 4.5 mp -51.41 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.94 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' HB2' HG23 ' A' ' 6' ' ' THR . 14.3 m-85 -98.87 23.98 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.865 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 30.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.1 110.858 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 53.42 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -26.51 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.5 p -119.7 71.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -74.59 72.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -98.59 -27.76 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 64.42 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.44 -25.83 10.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.49 -24.81 50.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -32.64 58.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.885 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -26.06 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -33.01 22.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.39 -29.42 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.07 -21.28 45.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.727 . . . . 32.31 112.447 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -84.49 -27.48 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 73.44 110.899 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.33 -32.2 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.126 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.97 -31.2 50.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 65.55 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.313 . . . . 74.53 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -120.5 -75.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -9.06 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 73.24 110.885 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.61 -25.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 74.12 111.148 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.552 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -74.15 -30.97 62.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.118 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.17 115.82 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.114 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mt -120.12 -76.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 64.53 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -67.33 -13.23 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 61.44 110.821 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.14 -20.68 55.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.903 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 11' ' ' PHE . 3.5 pp -114.98 -24.21 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.03 110.885 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.655 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.4 m-85 -76.05 68.25 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.9 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.43 -79.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 72.31 110.846 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -121.45 -40.0 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -19.54 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.937 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -97.68 -57.56 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.125 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -60.94 -18.36 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -52.02 -40.63 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -120.35 -33.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.3 -32.56 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.858 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 35.44 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.83 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.1 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 63.33 110.854 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.2 -31.78 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 61.01 110.888 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.35 -25.79 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -26.46 38.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 62.25 112.489 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -79.28 -29.86 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 72.13 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -31.28 23.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.11 111.185 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 54.03 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.854 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.669 ' H2 ' HG12 ' A' ' 4' ' ' ILE . 20.8 mmtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 61.21 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.1 -79.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 75.02 110.933 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -103.32 2.36 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 74.22 110.86 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.669 HG12 ' H2 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -105.57 -16.56 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 71.43 111.184 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -95.95 17.66 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.137 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.628 HG22 HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -84.38 71.21 10.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 64.21 111.183 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.421 HD12 ' C ' ' A' ' 5' ' ' THR . 5.1 mp -120.2 -72.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.12 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.81 -28.47 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.05 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -51.9 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.628 HD22 HG22 ' A' ' 6' ' ' THR . 6.0 mp -51.89 -59.04 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.913 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.62 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.2 p90 -116.15 116.08 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.862 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -71.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.856 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -88.54 -32.2 18.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.8 -16.09 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 55.44 110.93 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -51.39 -33.37 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.11 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -102.65 -22.84 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -57.97 -75.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -120.07 -33.39 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -25.94 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.868 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -32.19 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.841 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -82.71 -32.63 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.03 110.895 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.51 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -26.99 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.895 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.82 -26.88 34.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 60.34 112.465 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -79.2 -28.35 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 64.42 110.886 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.5 -31.56 21.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.53 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.87 -27.57 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.863 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.511 ' HB3' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.764 0.316 . . . . 70.01 110.924 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -105.93 -69.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 70.33 110.947 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -53.86 -20.66 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 5' ' ' THR . 2.8 pp -63.04 -27.09 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.53 111.126 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.5 t -111.81 116.09 30.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.186 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -61.81 -22.72 65.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.14 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.401 HD12 ' OG1' ' A' ' 5' ' ' THR . 4.2 mt -59.68 -75.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.32 111.086 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.79 -15.17 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.54 110.865 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -57.56 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.854 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.35 52.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -77.54 59.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -114.18 72.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.851 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 118.58 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.932 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD12 HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -53.48 -32.64 51.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.03 110.951 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 14' ' ' LEU . 75.5 p -119.53 71.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.26 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.836 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -109.61 -32.23 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.836 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.06 -32.63 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.57 -26.76 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -26.61 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -28.95 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.87 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.92 -32.75 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 62.2 110.879 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.94 -23.72 47.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.486 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -82.09 -26.69 33.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.915 0.388 . . . . 64.23 110.938 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -31.93 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 61.35 111.158 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -30.53 25.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 75.0 110.838 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.59 ' HA ' HG23 ' A' ' 5' ' ' THR . 1.2 tttm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.771 0.32 . . . . 74.42 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -120.46 -75.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.898 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.61 -37.35 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 70.13 110.879 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 1' ' ' LYS . 2.7 pp -75.31 -5.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.33 111.19 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -68.25 -12.13 60.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 73.2 111.148 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.662 HG23 ' CE1' ' A' ' 11' ' ' PHE . 87.4 m -88.04 100.48 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 10' ' ' LEU . 4.8 mp -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.173 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -74.28 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.804 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -121.89 27.79 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.1 110.872 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.599 HD12 HD13 ' A' ' 7' ' ' ILE . 7.8 mt -98.6 71.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 -119.16 115.48 24.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.02 -75.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.91 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.4 -34.51 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.93 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -94.59 21.76 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.35 110.932 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 72.13 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 21.03 12.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 53.33 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -105.03 -34.95 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 70.24 110.894 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.01 24.28 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.908 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -116.2 -25.4 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.832 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -55.58 -30.94 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -72.92 -32.66 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -33.29 30.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 62.11 110.857 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -23.7 57.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.864 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -23.12 36.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 74.51 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.4 -24.91 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.989 0.423 . . . . 72.34 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -31.99 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.24 111.14 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . 4.5 tp -99.39 -34.12 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.868 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.652 ' CB ' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 74.45 110.905 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -120.76 -75.98 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.1 110.921 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -29.37 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.859 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.652 HD11 ' CB ' ' A' ' 1' ' ' LYS . 2.8 pp -66.41 -13.68 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 73.14 111.128 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -110.23 120.24 41.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.149 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.52 ' CB ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -51.28 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 62.43 111.159 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.616 HD12 ' CD1' ' A' ' 10' ' ' LEU . 6.4 mt -109.02 -84.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 63.1 111.161 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -77.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.2 110.89 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.31 37.89 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.862 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.616 ' CD1' HD12 ' A' ' 7' ' ' ILE . 4.5 mt -50.94 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' HZ ' HG23 ' A' ' 6' ' ' THR . 2.7 p90 -118.55 109.1 15.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.867 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -36.49 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.42 110.846 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.94 102.15 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.54 39.3 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.79 -79.52 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.85 3.18 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.837 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.87 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -121.36 -35.81 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 72.01 110.918 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.59 -33.12 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.859 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -51.43 -35.12 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 61.51 110.857 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -120.06 19.99 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.865 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.72 -18.35 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.874 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -51.0 -37.85 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.67 31.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 73.53 112.508 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -104.98 -19.58 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 72.23 110.927 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -64.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 55.01 111.197 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.6 pp -88.09 -25.75 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.917 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.623 ' H1 ' HG23 ' A' ' 5' ' ' THR . 25.3 tttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.788 0.327 . . . . 72.2 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -120.27 -75.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.27 13.58 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 72.21 110.88 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.54 HG23 ' H3 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -118.03 -32.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 53.11 111.141 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.623 HG23 ' H1 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -51.12 -31.29 18.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.163 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -114.92 120.0 38.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 52.14 111.166 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' A' ' 11' ' ' PHE . 4.1 mt -111.84 -74.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 55.22 111.119 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -70.12 -11.15 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.882 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.582 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -80.2 -38.72 30.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.905 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.0 pp -120.23 23.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.923 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CD2' HG22 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -62.63 -30.04 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.13 110.873 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.86 24.7 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 70.21 110.851 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -69.48 -75.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.909 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.82 -24.33 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.88 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 p -116.63 70.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 55.2 111.171 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 68.25 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 63.12 110.887 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -51.91 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.908 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 17' ' ' ARG . 3.8 mp -112.59 36.57 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -118.34 -30.41 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.55 -31.73 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.846 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.89 -31.67 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 51.11 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -26.21 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.15 110.868 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -26.14 51.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 71.44 112.47 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.98 -26.28 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.95 0.405 . . . . 74.21 110.888 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -32.21 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.107 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.83 27.82 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.878 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 71.43 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -120.59 -75.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.37 -10.83 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 70.45 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.26 -22.51 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 71.44 111.171 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.501 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.3 t -112.81 120.62 42.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 60.22 111.143 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 -83.73 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.01 111.111 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.97 -79.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.23 111.143 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -20.29 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -53.21 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 10' ' ' LEU . 15.8 mt -121.34 80.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -113.22 -33.9 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.887 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -92.9 94.34 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.2 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -93.88 -77.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.64 -6.7 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -109.05 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.33 111.161 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.32 70.05 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 41.41 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -75.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.887 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.67 -25.2 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 60.54 110.944 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.52 -25.71 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -80.34 -31.38 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.32 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -78.03 -29.43 49.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 75.04 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -80.46 -32.86 37.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.5 110.908 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -25.49 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.889 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.86 -25.88 31.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 51.55 112.501 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.75 -28.84 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 74.11 110.929 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -32.41 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.159 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.24 -32.59 16.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' H3 ' HG23 ' A' ' 4' ' ' ILE . 12.9 mmtt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.827 0.346 . . . . 75.31 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -121.35 -77.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.934 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -98.51 14.81 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 50.54 110.89 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -113.39 -30.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.23 111.146 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 HG23 ' H1 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -72.53 -8.35 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.15 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.871 HG22 HD13 ' A' ' 10' ' ' LEU . 1.1 p -91.44 97.81 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 70.34 111.129 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 7' ' ' ILE . 4.8 mp -120.4 -74.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.41 111.124 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.06 -31.63 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 70.21 110.884 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.24 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.896 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 6' ' ' THR . 4.8 mp -63.25 -32.6 74.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.516 ' HD1' HG22 ' A' ' 15' ' ' THR . 18.3 m-85 -69.7 84.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.849 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -120.27 -75.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.54 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.98 -33.37 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD21 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -65.88 -14.07 60.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 62.23 110.912 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.516 HG22 ' HD1' ' A' ' 11' ' ' PHE . 29.3 p -51.4 -33.24 29.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.54 111.158 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -103.15 -18.88 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.55 110.851 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -51.72 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.883 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.11 -33.79 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -55.23 -26.67 41.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 64.21 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -32.68 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.893 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.96 -31.08 12.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.904 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -32.92 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.856 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.69 -25.62 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -19.22 45.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.471 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.34 -26.11 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 73.35 110.906 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -25.43 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 44.42 111.179 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 27' ' ' LEU . 4.8 tp -106.86 -33.75 7.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.974 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 65.52 110.833 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.5 ' CB ' HD11 ' A' ' 4' ' ' ILE . 9.5 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 74.31 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -120.7 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 54.33 110.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.88 -18.84 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 73.52 110.899 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 1' ' ' LYS . 2.7 pp -75.32 -23.89 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 64.03 111.075 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 3.1 t -74.64 72.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.107 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.683 HG23 ' CE1' ' A' ' 11' ' ' PHE . 97.9 m -120.2 103.73 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.129 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 7' ' ' ILE . 5.0 mp -120.2 -81.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.1 111.131 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.26 -73.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.872 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -121.85 26.93 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.01 110.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mt -100.99 72.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.683 ' CE1' HG23 ' A' ' 6' ' ' THR . 3.2 m-85 -115.57 103.95 11.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 27.83 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.4 110.856 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 119.01 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.99 33.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -119.97 71.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 63.54 111.148 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.06 71.08 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.85 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -94.75 -75.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.863 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.93 -29.15 10.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.91 -31.52 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.874 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -57.41 -28.61 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.13 110.853 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -76.28 -27.57 56.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.887 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.12 -31.77 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.863 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.37 -27.99 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.42 54.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 74.2 112.512 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 -26.35 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 72.43 110.932 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -74.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.1 111.142 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -75.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.938 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.898 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.806 0.336 . . . . 74.2 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -120.48 -75.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 60.05 110.932 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.66 -9.02 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.69 -25.68 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 71.24 111.13 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.556 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -74.67 -29.39 61.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 61.11 111.137 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.9 114.43 26.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 53.23 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.42 -86.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 61.1 111.151 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -122.1 8.11 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.838 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -76.24 56.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -118.74 19.51 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.21 110.874 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.1 m-85 -72.04 120.24 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.77 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.845 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 68.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -80.04 -1.78 41.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.933 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -51.07 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 73.13 111.119 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -121.59 51.35 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -114.09 -77.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 71.52 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -42.07 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.81 -23.05 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.898 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -95.57 24.57 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.31 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -75.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.853 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.847 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.97 -26.19 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -21.06 75.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 64.34 112.46 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -91.86 -31.44 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 71.31 110.896 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.15 -74.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.12 -29.86 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 74.11 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.669 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 63.12 110.882 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -120.08 -74.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.61 -4.53 56.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.02 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.47 -20.74 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.52 111.116 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.669 HG23 ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -52.17 -29.1 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 50.54 111.14 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.601 ' HB ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -70.07 83.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.111 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.28 -76.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.13 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' CE1' HG21 ' A' ' 15' ' ' THR . 3.8 m-70 -63.34 -16.21 59.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 62.45 110.862 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -75.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.04 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.643 ' H ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -50.57 -52.08 42.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 70.5 110.92 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.2 p90 -115.2 117.85 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.855 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 -28.2 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.35 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -35.72 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -94.98 22.34 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.936 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -64.35 -74.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.114 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -72.42 -9.09 58.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 65.1 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 70.14 110.904 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.07 -32.44 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 64.35 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -29.48 21.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 72.54 110.921 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -60.47 -33.61 72.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 71.4 110.842 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -118.28 24.02 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -18.37 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.859 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -50.45 -38.06 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.02 -27.01 29.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 54.22 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.91 -33.46 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 71.3 110.966 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.85 -74.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 70.44 111.121 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -28.07 30.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.982 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.797 0.332 . . . . 75.14 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.45 -76.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.901 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.24 -13.66 62.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.65 -24.39 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 55.23 111.103 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.538 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -68.17 -26.82 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.149 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.06 107.41 8.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.45 111.179 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.37 -85.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.89 8.16 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.861 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -76.47 55.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -22.67 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.896 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.41 -30.79 20.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 43.59 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 72.12 110.891 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 -1.63 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.88 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 p -86.35 -11.28 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.14 111.166 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.44 101.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.02 -33.22 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 71.02 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 -32.97 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 64.11 110.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.43 -26.41 67.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.35 110.914 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.48 -30.02 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -76.26 -31.98 58.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.05 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -83.55 -32.95 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -26.32 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.875 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.87 -27.4 36.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 50.53 112.424 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -77.16 -29.13 54.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 73.44 110.873 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.98 -31.84 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.126 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.64 28.24 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.863 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.3 110.826 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.5 tttt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.815 0.34 . . . . 71.34 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -120.49 -75.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -9.09 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.63 -25.7 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 61.45 111.11 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -79.04 -28.21 43.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.21 111.171 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.48 45.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 72.31 111.114 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -86.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.14 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.614 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.0 m-70 -121.86 5.7 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 65.01 110.88 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -76.98 56.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.53 110.915 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 10' ' ' LEU . 2.4 pt? -120.01 18.5 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.932 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -67.52 88.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -71.72 -26.56 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.1 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.08 120.31 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.873 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.34 16.07 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.41 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.0 p -120.13 72.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.76 53.3 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 65.31 110.837 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -61.33 -33.58 73.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 61.35 110.884 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.02 -33.16 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.39 -25.72 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.55 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -65.45 -31.67 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -118.47 25.84 10.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.873 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.05 -18.51 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' HD2' HD12 ' A' ' 27' ' ' LEU . 33.8 p90 -50.83 -37.71 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 55.33 110.889 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.46 -28.48 21.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.22 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.08 -33.64 50.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 74.42 110.92 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -39.86 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 73.02 111.14 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD12 ' HD2' ' A' ' 23' ' ' PHE . 5.0 mt -64.01 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.4 110.96 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.86 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 61.34 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.41 -76.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' CG ' HD22 ' A' ' 10' ' ' LEU . 4.0 mt-10 -90.7 -31.61 16.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 72.02 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.42 4.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.182 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.7 m -49.38 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.04 111.113 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 -81.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 43.45 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.5 -87.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.119 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.18 9.51 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.86 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.96 58.31 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 63.2 110.905 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' CG ' ' A' ' 3' ' ' GLU . 3.6 pp -85.5 5.66 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.896 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -54.19 120.24 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.87 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -120.07 -33.51 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 60.42 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG2' HD23 ' A' ' 14' ' ' LEU . 8.2 ptmt -117.72 -34.45 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.898 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.4 20.97 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.04 110.954 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.44 111.171 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.93 0.6 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 71.22 110.875 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -52.09 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.44 -32.52 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 62.31 110.892 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -33.05 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.884 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -32.0 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -86.19 -29.56 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -27.6 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -28.18 63.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.845 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -25.15 34.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 43.22 112.497 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -80.92 -28.12 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 60.42 110.93 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 -31.01 19.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 64.25 111.12 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -32.48 44.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.837 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.753 0.311 . . . . 72.3 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -120.48 -75.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 70.13 110.92 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.55 -9.08 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 64.13 110.922 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.65 -25.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.091 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -82.11 -32.81 30.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.43 111.14 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -97.85 108.41 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 50.01 111.112 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.732 HD13 HD22 ' A' ' 10' ' ' LEU . 5.2 mp -105.45 -75.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.23 111.076 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -120.93 -67.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.858 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.49 -3.66 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 54.13 110.879 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.732 HD22 HD13 ' A' ' 7' ' ' ILE . 4.5 mp -51.28 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 63.15 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -96.38 21.79 8.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.24 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -120.73 56.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.02 110.831 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG3' HD23 ' A' ' 14' ' ' LEU . 5.5 tptm -65.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mm? -120.87 -91.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 65.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.8 -85.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 55.52 111.14 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -122.48 57.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.826 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 -8.06 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.909 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.04 -14.45 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.37 -33.25 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.52 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -120.02 27.52 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.837 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.64 -18.5 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 62.53 110.878 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -50.82 -37.63 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.49 -28.54 21.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -77.81 -33.7 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 72.4 110.96 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 55.24 111.158 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -30.06 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.885 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 71.24 110.918 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -120.96 -82.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 70.23 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.85 14.21 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' CG2' ' H2 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -113.48 -24.91 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 74.23 111.101 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HA ' ' A' ' 1' ' ' LYS . 5.4 p -48.63 123.48 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 51.34 111.137 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.474 ' HB ' HD21 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -118.77 98.69 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 71.45 111.086 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mt -120.04 -75.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 62.24 111.163 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -12.63 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 70.43 110.86 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -38.0 56.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 71.4 110.869 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -120.21 35.4 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 61.34 110.908 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.89 26.48 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 70.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -26.22 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 119.72 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.851 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 37.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.895 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.4 p -119.63 72.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.139 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -74.55 72.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 64.32 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -75.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.887 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 26.48 10.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 60.31 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -26.42 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.874 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -119.94 30.84 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -119.55 -32.72 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.819 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.83 -32.88 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.33 110.952 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.15 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.91 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.71 -19.19 54.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.23 -25.98 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 72.34 110.936 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.65 -74.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 63.42 111.151 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.78 59.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.878 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.41 110.897 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.781 0.324 . . . . 63.53 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -115.37 -74.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.918 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 -37.28 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 72.42 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -6.79 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.22 111.14 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 5' ' ' THR . 7.6 t -50.85 120.48 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.143 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.111 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 -82.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 63.31 111.165 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.44 4.75 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 55.51 110.865 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -47.87 -30.85 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.1 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.5 mt -76.57 65.22 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 54.13 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB3' HD22 ' A' ' 14' ' ' LEU . 40.4 m-85 -77.28 61.71 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.873 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -75.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.869 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -103.15 80.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 11' ' ' PHE . 1.5 pt? -112.3 31.03 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 42.5 110.891 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -89.67 -78.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -121.68 5.82 10.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.822 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -80.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.33 110.864 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.58 -25.02 5.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 63.03 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.49 11.39 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.866 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -50.17 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -26.18 41.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.859 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -26.96 39.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 64.01 110.901 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' HE2' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -52.71 -29.47 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.908 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.09 28.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 64.23 112.507 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.33 -32.51 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.949 0.404 . . . . 71.31 110.896 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -31.94 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 63.34 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.09 -29.73 64.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.1 110.905 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 54.55 110.87 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.503 ' HB3' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 73.41 110.906 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -105.31 -70.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.951 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -53.42 -20.89 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 61.12 110.902 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 5' ' ' THR . 2.8 pp -62.6 -27.36 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.1 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.546 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.7 t -111.78 120.03 40.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 63.31 111.155 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.08 111.55 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.115 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -114.64 -68.48 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.53 111.098 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.18 13.35 12.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.33 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -41.2 -36.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 62.22 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 59.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 71.51 110.942 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -71.85 -21.81 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -98.31 21.31 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.852 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -95.89 -77.54 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.58 -31.83 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.947 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.3 p -59.53 -34.09 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 61.53 111.161 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -11.41 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.874 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -71.54 -26.12 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -32.93 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.917 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.73 -24.99 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.97 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.86 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -118.79 25.1 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.867 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.22 -18.48 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -50.83 -37.67 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.47 -28.49 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 72.3 112.477 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.11 -33.58 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 75.14 110.938 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -39.83 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 64.11 111.118 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -32.0 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.938 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.704 ' C ' HD12 ' A' ' 4' ' ' ILE . 2.4 tttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.767 0.318 . . . . 73.03 110.863 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' O ' HD13 ' A' ' 4' ' ' ILE . 28.1 t80 -114.33 -68.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.934 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -10.01 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.34 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.704 HD12 ' C ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -56.34 -19.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 70.42 111.146 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.49 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -93.64 20.29 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.153 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.42 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.24 -88.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 42.24 111.123 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -123.78 2.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -79.5 56.87 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -23.32 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.14 110.915 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -54.22 121.06 7.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.876 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -97.34 -74.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.86 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HD3' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -120.41 -75.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.88 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -120.01 29.89 7.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.907 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -88.68 -19.1 26.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.163 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -46.85 100.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -113.83 -32.28 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 71.13 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.79 -32.5 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.54 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -27.2 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.842 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -27.42 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.905 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -69.22 -32.07 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.88 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.32 -32.67 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.02 110.923 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -26.31 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 64.15 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -25.14 35.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 54.04 112.472 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.32 -27.04 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.991 0.424 . . . . 74.23 110.957 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -32.11 18.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 74.51 111.157 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.38 -30.06 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.01 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 74.010000000000005 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 30.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 110.858 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 53.420000000000002 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -26.51 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.5 p -119.7 71.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -74.59 72.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -98.59 -27.76 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.44 -25.83 10.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 74.450000000000003 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.49 -24.81 50.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.520000000000003 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -32.64 58.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.885 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -26.06 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -33.01 22.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.39 -29.42 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.07 -21.28 45.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.727 . . . . 32.310000000000002 112.447 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -84.49 -27.48 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 73.439999999999998 110.899 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.33 -32.2 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 111.126 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.97 -31.2 50.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 65.549999999999997 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.140000000000001 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.827 0.346 . . . . 74.540000000000006 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.43 -79.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 72.310000000000002 110.846 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -121.45 -40.0 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -19.54 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.937 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -97.68 -57.56 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 63.399999999999999 111.125 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -60.94 -18.36 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.109999999999999 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -52.02 -40.63 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -120.35 -33.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.3 -32.56 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.858 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 35.44 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.83 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.1 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 63.329999999999998 110.854 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.2 -31.78 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 61.009999999999998 110.888 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.35 -25.79 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -26.46 38.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 62.25 112.489 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -79.28 -29.86 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 72.129999999999995 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -31.28 23.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.109999999999999 111.185 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 54.030000000000001 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.854 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.62 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.2 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 74.409999999999997 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -71.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 110.856 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -88.54 -32.2 18.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.8 -16.09 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 55.439999999999998 110.93 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -51.39 -33.37 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 111.11 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -102.65 -22.84 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.099999999999994 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -57.97 -75.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 110.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -120.07 -33.39 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 72.340000000000003 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -25.94 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.868 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -32.19 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.219999999999999 110.841 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -82.71 -32.63 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.030000000000001 110.895 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.509999999999998 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -26.99 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.895 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.82 -26.88 34.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 60.340000000000003 112.465 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -79.2 -28.35 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 64.420000000000002 110.886 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.5 -31.56 21.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.530000000000001 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.87 -27.57 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.863 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.35 . . . . 72.420000000000002 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -114.18 72.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 65.420000000000002 110.851 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 118.58 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 110.932 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD12 HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -53.48 -32.64 51.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.030000000000001 110.951 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 14' ' ' LEU . 75.5 p -119.53 71.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.09 70.26 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.836 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -109.61 -32.23 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.219999999999999 110.836 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.06 -32.63 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.420000000000002 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.57 -26.76 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -26.61 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.200000000000003 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -28.95 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.87 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.92 -32.75 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 62.200000000000003 110.879 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.94 -23.72 47.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 74.129999999999995 112.486 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -82.09 -26.69 33.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.915 0.388 . . . . 64.230000000000004 110.938 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -31.93 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 61.350000000000001 111.158 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -30.53 25.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.299999999999997 110.936 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 75.0 110.838 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 53.119999999999997 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.02 -75.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.91 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.4 -34.51 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.93 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -94.59 21.76 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.350000000000001 110.932 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 72.129999999999995 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 21.03 12.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 53.329999999999998 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -105.03 -34.95 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 70.239999999999995 110.894 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.01 24.28 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.340000000000003 110.908 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -116.2 -25.4 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.832 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -55.58 -30.94 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 72.319999999999993 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -72.92 -32.66 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -33.29 30.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 62.109999999999999 110.857 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -23.7 57.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.864 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -23.12 36.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.4 -24.91 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.989 0.423 . . . . 72.340000000000003 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -31.99 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 111.14 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.5 tp -99.39 -34.12 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.519999999999996 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.409999999999997 110.868 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 71.310000000000002 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -36.49 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.420000000000002 110.846 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.94 102.15 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.54 39.3 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.099999999999994 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.79 -79.52 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 61.439999999999998 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.85 3.18 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.837 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.87 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.040000000000006 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -121.36 -35.81 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 72.010000000000005 110.918 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.59 -33.12 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.409999999999997 110.859 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -51.43 -35.12 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 61.509999999999998 110.857 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -120.06 19.99 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.519999999999996 110.865 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.72 -18.35 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 110.874 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -51.0 -37.85 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.019999999999996 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.67 31.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 73.530000000000001 112.508 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -104.98 -19.58 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 72.230000000000004 110.927 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -64.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 55.009999999999998 111.197 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.6 pp -88.09 -25.75 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 110.917 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 72.129999999999995 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.86 24.7 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 110.851 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -69.48 -75.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.399999999999999 110.909 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.82 -24.33 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.88 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 p -116.63 70.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 55.200000000000003 111.171 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 68.25 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 63.119999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -51.91 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.908 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 17' ' ' ARG . 3.8 mp -112.59 36.57 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -118.34 -30.41 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.55 -31.73 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.319999999999993 110.846 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.89 -31.67 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 51.109999999999999 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.219999999999999 110.896 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -26.21 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.150000000000006 110.868 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -26.14 51.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 71.439999999999998 112.47 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.98 -26.28 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.95 0.405 . . . . 74.209999999999994 110.888 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -32.21 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.120000000000005 111.107 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.83 27.82 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 74.310000000000002 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 70.120000000000005 110.878 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.867 0.365 . . . . 72.310000000000002 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -92.9 94.34 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.200000000000003 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -93.88 -77.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.430000000000007 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.64 -6.7 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -109.05 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 111.161 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.32 70.05 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 41.409999999999997 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -75.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 71.019999999999996 110.887 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.67 -25.2 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 60.539999999999999 110.944 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.52 -25.71 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.310000000000002 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -80.34 -31.38 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.319999999999993 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -78.03 -29.43 49.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -80.46 -32.86 37.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.5 110.908 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -25.49 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.889 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.86 -25.88 31.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 51.549999999999997 112.501 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.75 -28.84 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 74.109999999999999 110.929 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -32.41 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.310000000000002 111.159 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.24 -32.59 16.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.516 ' HD1' HG22 ' A' ' 15' ' ' THR . 18.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.875 0.369 . . . . 74.430000000000007 110.849 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -120.27 -75.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.540000000000006 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.98 -33.37 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.450000000000003 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -65.88 -14.07 60.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 62.229999999999997 110.912 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.516 HG22 ' HD1' ' A' ' 11' ' ' PHE . 29.3 p -51.4 -33.24 29.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 111.158 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -103.15 -18.88 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.549999999999997 110.851 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -51.72 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.420000000000002 110.883 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.11 -33.79 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 72.299999999999997 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -55.23 -26.67 41.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 64.209999999999994 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -32.68 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.893 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.96 -31.08 12.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.904 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -32.92 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.856 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.69 -25.62 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -19.22 45.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.420000000000002 112.471 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.34 -26.11 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 73.349999999999994 110.906 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -25.43 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 44.420000000000002 111.179 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.8 tp -106.86 -33.75 7.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 110.974 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 65.519999999999996 110.833 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.354 . . . . 74.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 27.83 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.856 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 119.01 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.219999999999999 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.99 33.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -119.97 71.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 63.539999999999999 111.148 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.06 71.08 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.85 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -94.75 -75.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.863 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.93 -29.15 10.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.91 -31.52 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.874 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -57.41 -28.61 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.129999999999995 110.853 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -76.28 -27.57 56.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.887 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.12 -31.77 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.239999999999995 110.863 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.37 -27.99 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.219999999999999 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.42 54.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 74.200000000000003 112.512 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 -26.35 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 72.430000000000007 110.932 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -74.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.099999999999994 111.142 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -75.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 73.540000000000006 110.938 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.898 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.642 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.1 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.87 0.367 . . . . 64.209999999999994 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.77 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.049999999999997 110.845 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 68.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -80.04 -1.78 41.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.933 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -51.07 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 111.119 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -121.59 51.35 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 71.510000000000005 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -114.09 -77.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 71.519999999999996 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -42.07 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 65.430000000000007 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.81 -23.05 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.310000000000002 110.898 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -95.57 24.57 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.310000000000002 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -75.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.853 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.847 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.97 -26.19 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.230000000000004 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -21.06 75.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 64.340000000000003 112.46 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -91.86 -31.44 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 110.896 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.15 -74.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.12 -29.86 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 74.109999999999999 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.2 p90 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 74.439999999999998 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 -28.2 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.349999999999994 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -35.72 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -94.98 22.34 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 110.936 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -64.35 -74.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 111.114 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.42 -9.09 58.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 65.099999999999994 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 70.140000000000001 110.904 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.07 -32.44 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 64.349999999999994 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -29.48 21.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.921 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -60.47 -33.61 72.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 71.400000000000006 110.842 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -118.28 24.02 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -18.37 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.400000000000006 110.859 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -50.45 -38.06 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.02 -27.01 29.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 54.219999999999999 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.91 -33.46 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 71.299999999999997 110.966 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.85 -74.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 70.439999999999998 111.121 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -28.07 30.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 64.030000000000001 110.982 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 71.129999999999995 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 72.310000000000002 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 43.59 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 72.120000000000005 110.891 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.310000000000002 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 -1.63 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.88 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 p -86.35 -11.28 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 111.166 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.44 101.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.02 -33.22 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 71.019999999999996 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 -32.97 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 64.109999999999999 110.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.43 -26.41 67.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.350000000000001 110.914 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.48 -30.02 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -76.26 -31.98 58.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.049999999999997 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -83.55 -32.95 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.130000000000003 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -26.32 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.875 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.87 -27.4 36.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 50.530000000000001 112.424 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -77.16 -29.13 54.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 73.439999999999998 110.873 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.98 -31.84 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 111.126 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.64 28.24 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.450000000000003 110.863 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.826 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 73.150000000000006 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -71.72 -26.56 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.099999999999994 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.08 120.31 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.873 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.34 16.07 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.409999999999997 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.0 p -120.13 72.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.76 53.3 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 65.310000000000002 110.837 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -61.33 -33.58 73.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 110.884 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.02 -33.16 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.129999999999995 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.39 -25.72 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.549999999999997 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -65.45 -31.67 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -118.47 25.84 10.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.540000000000006 110.873 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.05 -18.51 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.431 ' HD2' HD12 ' A' ' 27' ' ' LEU . 33.8 p90 -50.83 -37.71 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 55.329999999999998 110.889 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.46 -28.48 21.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.219999999999999 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.08 -33.64 50.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 74.420000000000002 110.92 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -39.86 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 73.019999999999996 111.14 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD12 ' HD2' ' A' ' 23' ' ' PHE . 5.0 mt -64.01 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.400000000000006 110.96 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.86 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 74.150000000000006 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -120.07 -33.51 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 60.420000000000002 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG2' HD23 ' A' ' 14' ' ' LEU . 8.2 ptmt -117.72 -34.45 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 110.898 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.4 20.97 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.040000000000006 110.954 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.439999999999998 111.171 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.93 0.6 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 71.219999999999999 110.875 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -52.09 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.44 -32.52 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 62.310000000000002 110.892 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -33.05 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.430000000000007 110.884 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -32.0 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.140000000000001 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -86.19 -29.56 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -27.6 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -28.18 63.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 110.845 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -25.15 34.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 43.219999999999999 112.497 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -80.92 -28.12 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 60.420000000000002 110.93 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 -31.01 19.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 64.25 111.12 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -32.48 44.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.019999999999996 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.540000000000006 110.837 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.868 0.366 . . . . 70.239999999999995 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -120.73 56.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.019999999999996 110.831 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG3' HD23 ' A' ' 14' ' ' LEU . 5.5 tptm -65.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.099999999999994 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mm? -120.87 -91.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 65.400000000000006 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.8 -85.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 55.520000000000003 111.14 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -122.48 57.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.826 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 -8.06 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.909 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.04 -14.45 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.310000000000002 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.37 -33.25 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.519999999999996 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -120.02 27.52 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.329999999999998 110.837 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.64 -18.5 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 62.530000000000001 110.878 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -50.82 -37.63 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.49 -28.54 21.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 63.140000000000001 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -77.81 -33.7 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 72.400000000000006 110.96 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 55.240000000000002 111.158 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -30.06 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.230000000000004 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.885 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.369 . . . . 70.0 110.887 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -26.22 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.230000000000004 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 119.72 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.310000000000002 110.851 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 37.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.030000000000001 110.895 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.4 p -119.63 72.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 111.139 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -74.55 72.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 64.319999999999993 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -75.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.299999999999997 110.887 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 26.48 10.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 60.310000000000002 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -26.42 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.874 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -119.94 30.84 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -119.55 -32.72 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.819 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.83 -32.88 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.952 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.15 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.91 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.71 -19.19 54.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 71.409999999999997 112.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.23 -25.98 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 72.340000000000003 110.936 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.65 -74.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 63.420000000000002 111.151 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.78 59.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.878 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.409999999999997 110.897 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB3' HD22 ' A' ' 14' ' ' LEU . 40.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 72.329999999999998 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -75.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.869 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -103.15 80.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 11' ' ' PHE . 1.5 pt? -112.3 31.03 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 42.5 110.891 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -89.67 -78.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -121.68 5.82 10.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.822 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -80.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.329999999999998 110.864 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.58 -25.02 5.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 63.030000000000001 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.49 11.39 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.030000000000001 110.866 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -50.17 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -26.18 41.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.530000000000001 110.859 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -26.96 39.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 64.010000000000005 110.901 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.422 ' HE2' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -52.71 -29.47 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.010000000000005 110.908 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.09 28.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 64.230000000000004 112.507 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.33 -32.51 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.949 0.404 . . . . 71.310000000000002 110.896 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -31.94 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 63.340000000000003 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.09 -29.73 64.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.100000000000001 110.905 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 54.549999999999997 110.87 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.871 0.367 . . . . 74.219999999999999 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -98.31 21.31 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 73.430000000000007 110.852 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -95.89 -77.54 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.883 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.58 -31.83 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.947 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.3 p -59.53 -34.09 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 61.530000000000001 111.161 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -11.41 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.874 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -71.54 -26.12 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -32.93 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.917 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.73 -24.99 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.97 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 110.86 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -118.79 25.1 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 73.439999999999998 110.867 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.22 -18.48 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -50.83 -37.67 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.47 -28.49 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 72.299999999999997 112.477 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.11 -33.58 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 75.140000000000001 110.938 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -39.83 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 64.109999999999999 111.118 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -32.0 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.340000000000003 110.938 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 75.329999999999998 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -97.34 -74.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.439999999999998 110.86 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HD3' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -120.41 -75.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.88 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -120.01 29.89 7.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 110.907 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -88.68 -19.1 26.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.163 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -46.85 100.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -113.83 -32.28 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 71.129999999999995 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.79 -32.5 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -27.2 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.030000000000001 110.842 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -27.42 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 62.200000000000003 110.905 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -69.22 -32.07 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.340000000000003 110.88 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.32 -32.67 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.019999999999996 110.923 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -26.31 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 64.150000000000006 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -25.14 35.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 54.039999999999999 112.472 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.32 -27.04 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.991 0.424 . . . . 74.230000000000004 110.957 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -32.11 18.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 74.510000000000005 111.157 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.38 -30.06 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.009999999999998 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.336 . . . . 72.310000000000002 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -120.46 -75.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.929 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.68 -9.01 58.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.129999999999995 110.891 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.7 -25.65 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.040000000000006 111.162 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -84.71 -33.1 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 70.129999999999995 111.111 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' ' 11' ' ' PHE . 1.7 m -91.29 115.61 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 63.009999999999998 111.137 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.71 ' HB ' HD13 ' A' ' 10' ' ' LEU . 5.2 mp -108.24 -75.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.230000000000004 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -67.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.439999999999998 110.908 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -120.58 -3.36 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 7' ' ' ILE . 4.5 mp -51.41 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 73.140000000000001 110.94 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' HB2' HG23 ' A' ' 6' ' ' THR . 14.3 m-85 -98.87 23.98 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.010000000000005 110.865 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 30.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 110.858 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 113.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 53.420000000000002 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -26.51 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.5 p -119.7 71.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -74.59 72.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.852 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -98.59 -27.76 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.865 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.44 -25.83 10.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 74.450000000000003 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.49 -24.81 50.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.520000000000003 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -32.64 58.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.885 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -26.06 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -33.01 22.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.39 -29.42 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.07 -21.28 45.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.727 . . . . 32.310000000000002 112.447 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -84.49 -27.48 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 73.439999999999998 110.899 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.33 -32.2 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 111.126 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.97 -31.2 50.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 65.549999999999997 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.140000000000001 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.313 . . . . 74.530000000000001 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -120.5 -75.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 71.109999999999999 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -9.06 58.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 73.239999999999995 110.885 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.61 -25.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 111.148 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.552 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -74.15 -30.97 62.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 111.118 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.17 115.82 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.340000000000003 111.114 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mt -120.12 -76.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 64.530000000000001 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -67.33 -13.23 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 61.439999999999998 110.821 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.14 -20.68 55.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.903 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 11' ' ' PHE . 3.5 pp -114.98 -24.21 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.030000000000001 110.885 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.655 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.4 m-85 -76.05 68.25 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.9 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -120.43 -79.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 72.310000000000002 110.846 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -121.45 -40.0 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.530000000000001 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -19.54 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.937 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -97.68 -57.56 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 63.399999999999999 111.125 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -60.94 -18.36 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.109999999999999 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -52.02 -40.63 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -120.35 -33.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.3 -32.56 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.858 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 35.44 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.83 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.1 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 63.329999999999998 110.854 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.2 -31.78 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 61.009999999999998 110.888 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.35 -25.79 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -26.46 38.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 62.25 112.489 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -79.28 -29.86 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 72.129999999999995 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -31.28 23.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 73.109999999999999 111.185 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 54.030000000000001 110.935 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.854 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.669 ' H2 ' HG12 ' A' ' 4' ' ' ILE . 20.8 mmtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 61.210000000000001 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.1 -79.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 75.019999999999996 110.933 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -103.32 2.36 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 74.219999999999999 110.86 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.669 HG12 ' H2 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -105.57 -16.56 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 71.430000000000007 111.184 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.421 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -95.95 17.66 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.450000000000003 111.137 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.628 HG22 HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -84.38 71.21 10.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 64.209999999999994 111.183 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.421 HD12 ' C ' ' A' ' 5' ' ' THR . 5.1 mp -120.2 -72.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 111.12 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.81 -28.47 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.049999999999997 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -51.9 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 63.240000000000002 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.628 HD22 HG22 ' A' ' 6' ' ' THR . 6.0 mp -51.89 -59.04 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.549999999999997 110.913 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.62 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.2 p90 -116.15 116.08 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.862 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -71.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 110.856 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -88.54 -32.2 18.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 110.911 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.8 -16.09 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 55.439999999999998 110.93 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -51.39 -33.37 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 111.11 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -102.65 -22.84 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.099999999999994 110.908 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -57.97 -75.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 110.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -120.07 -33.39 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 72.340000000000003 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -25.94 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.868 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -32.19 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.219999999999999 110.841 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -82.71 -32.63 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.030000000000001 110.895 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 62.509999999999998 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.94 -26.99 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.895 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.82 -26.88 34.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 60.340000000000003 112.465 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -79.2 -28.35 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.956 0.408 . . . . 64.420000000000002 110.886 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.5 -31.56 21.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.530000000000001 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.87 -27.57 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.863 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.511 ' HB3' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.764 0.316 . . . . 70.010000000000005 110.924 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -105.93 -69.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 70.329999999999998 110.947 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -53.86 -20.66 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 70.340000000000003 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 5' ' ' THR . 2.8 pp -63.04 -27.09 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.530000000000001 111.126 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.5 t -111.81 116.09 30.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 71.230000000000004 111.186 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -61.81 -22.72 65.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 73.540000000000006 111.14 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.401 HD12 ' OG1' ' A' ' 5' ' ' THR . 4.2 mt -59.68 -75.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 111.086 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.79 -15.17 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.865 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -57.56 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.010000000000005 110.854 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.35 52.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -77.54 59.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -114.18 72.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 65.420000000000002 110.851 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 118.58 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 110.932 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD12 HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -53.48 -32.64 51.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.030000000000001 110.951 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.661 HG23 HD12 ' A' ' 14' ' ' LEU . 75.5 p -119.53 71.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.09 70.26 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.836 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -109.61 -32.23 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.219999999999999 110.836 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.06 -32.63 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.420000000000002 110.897 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.57 -26.76 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -26.61 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.200000000000003 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -28.95 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.87 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.92 -32.75 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 62.200000000000003 110.879 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.83 -26.25 65.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.85 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.94 -23.72 47.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 74.129999999999995 112.486 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -82.09 -26.69 33.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.915 0.388 . . . . 64.230000000000004 110.938 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -31.93 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 61.350000000000001 111.158 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 -30.53 25.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.299999999999997 110.936 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 75.0 110.838 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.59 ' HA ' HG23 ' A' ' 5' ' ' THR . 1.2 tttm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.771 0.32 . . . . 74.420000000000002 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -120.46 -75.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.239999999999995 110.898 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.61 -37.35 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 70.129999999999995 110.879 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 1' ' ' LYS . 2.7 pp -75.31 -5.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.329999999999998 111.19 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -68.25 -12.13 60.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 73.200000000000003 111.148 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.662 HG23 ' CE1' ' A' ' 11' ' ' PHE . 87.4 m -88.04 100.48 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 111.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 10' ' ' LEU . 4.8 mp -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 111.173 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -74.28 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 71.409999999999997 110.804 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -121.89 27.79 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.099999999999994 110.872 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.599 HD12 HD13 ' A' ' 7' ' ' ILE . 7.8 mt -98.6 71.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 -119.16 115.48 24.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 53.119999999999997 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.02 -75.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.91 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.4 -34.51 72.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.93 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -94.59 21.76 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.350000000000001 110.932 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 72.129999999999995 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 21.03 12.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 53.329999999999998 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -105.03 -34.95 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 70.239999999999995 110.894 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.01 24.28 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.340000000000003 110.908 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -116.2 -25.4 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.832 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -55.58 -30.94 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 72.319999999999993 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -72.92 -32.66 65.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.871 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -33.29 30.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 62.109999999999999 110.857 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -23.7 57.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.864 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -23.12 36.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.4 -24.91 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.989 0.423 . . . . 72.340000000000003 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -31.99 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 111.14 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.5 tp -99.39 -34.12 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.519999999999996 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.409999999999997 110.868 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.652 ' CB ' HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 74.450000000000003 110.905 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -120.76 -75.98 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 110.921 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -29.37 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.209999999999994 110.859 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.652 HD11 ' CB ' ' A' ' 1' ' ' LYS . 2.8 pp -66.41 -13.68 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 73.140000000000001 111.128 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -110.23 120.24 41.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 111.149 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.52 ' CB ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -51.28 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 62.43 111.159 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.616 HD12 ' CD1' ' A' ' 10' ' ' LEU . 6.4 mt -109.02 -84.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 63.100000000000001 111.161 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -77.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.200000000000003 110.89 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.31 37.89 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.862 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.616 ' CD1' HD12 ' A' ' 7' ' ' ILE . 4.5 mt -50.94 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' HZ ' HG23 ' A' ' 6' ' ' THR . 2.7 p90 -118.55 109.1 15.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.310000000000002 110.867 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -36.49 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.420000000000002 110.846 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.94 102.15 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.54 39.3 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.099999999999994 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.79 -79.52 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 61.439999999999998 111.154 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.85 3.18 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.837 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.87 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.040000000000006 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -121.36 -35.81 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 72.010000000000005 110.918 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.59 -33.12 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.409999999999997 110.859 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -51.43 -35.12 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 61.509999999999998 110.857 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -120.06 19.99 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.519999999999996 110.865 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.72 -18.35 10.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 110.874 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -51.0 -37.85 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.019999999999996 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.67 31.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 73.530000000000001 112.508 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -104.98 -19.58 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 72.230000000000004 110.927 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -64.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 55.009999999999998 111.197 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.6 pp -88.09 -25.75 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 110.917 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.623 ' H1 ' HG23 ' A' ' 5' ' ' THR . 25.3 tttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.788 0.327 . . . . 72.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -120.27 -75.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 72.140000000000001 110.895 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.27 13.58 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 72.209999999999994 110.88 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.54 HG23 ' H3 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -118.03 -32.51 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 53.109999999999999 111.141 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.623 HG23 ' H1 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -51.12 -31.29 18.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 63.399999999999999 111.163 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -114.92 120.0 38.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 52.140000000000001 111.166 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' A' ' 11' ' ' PHE . 4.1 mt -111.84 -74.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 55.219999999999999 111.119 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -70.12 -11.15 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.882 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.582 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -80.2 -38.72 30.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.905 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.0 pp -120.23 23.15 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.923 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CD2' HG22 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -62.63 -30.04 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.129999999999995 110.873 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.86 24.7 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 110.851 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -69.48 -75.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.399999999999999 110.909 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.82 -24.33 7.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.88 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 p -116.63 70.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 55.200000000000003 111.171 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 68.25 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 63.119999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.512 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -51.91 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.908 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 17' ' ' ARG . 3.8 mp -112.59 36.57 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -118.34 -30.41 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -60.55 -31.73 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.319999999999993 110.846 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.89 -31.67 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 51.109999999999999 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.219999999999999 110.896 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -26.21 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.150000000000006 110.868 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.51 -26.14 51.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 71.439999999999998 112.47 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.98 -26.28 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.95 0.405 . . . . 74.209999999999994 110.888 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -32.21 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.120000000000005 111.107 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.1 mt -111.83 27.82 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 74.310000000000002 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 70.120000000000005 110.878 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 mttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 71.430000000000007 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -120.59 -75.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.37 -10.83 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 70.450000000000003 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.26 -22.51 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 71.439999999999998 111.171 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.501 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.3 t -112.81 120.62 42.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 60.219999999999999 111.143 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 -83.73 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.010000000000005 111.111 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.97 -79.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.229999999999997 111.143 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -20.29 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 75.109999999999999 110.881 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -53.21 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 70.329999999999998 110.876 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 10' ' ' LEU . 15.8 mt -121.34 80.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -113.22 -33.9 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.887 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -92.9 94.34 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.200000000000003 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -93.88 -77.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.430000000000007 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.64 -6.7 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.902 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -109.05 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 111.161 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.32 70.05 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 41.409999999999997 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -75.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 71.019999999999996 110.887 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.67 -25.2 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 60.539999999999999 110.944 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.52 -25.71 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.310000000000002 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -80.34 -31.38 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.319999999999993 110.851 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -78.03 -29.43 49.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -80.46 -32.86 37.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.5 110.908 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -25.49 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.889 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.86 -25.88 31.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 51.549999999999997 112.501 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.75 -28.84 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 74.109999999999999 110.929 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -32.41 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.310000000000002 111.159 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.24 -32.59 16.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' H3 ' HG23 ' A' ' 4' ' ' ILE . 12.9 mmtt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.827 0.346 . . . . 75.310000000000002 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -121.35 -77.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.409999999999997 110.934 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -98.51 14.81 26.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 50.539999999999999 110.89 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -113.39 -30.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.230000000000004 111.146 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 HG23 ' H1 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -72.53 -8.35 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.15 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.871 HG22 HD13 ' A' ' 10' ' ' LEU . 1.1 p -91.44 97.81 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 70.340000000000003 111.129 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 7' ' ' ILE . 4.8 mp -120.4 -74.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.409999999999997 111.124 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.06 -31.63 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 70.209999999999994 110.884 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.24 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.896 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 6' ' ' THR . 4.8 mp -63.25 -32.6 74.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.516 ' HD1' HG22 ' A' ' 15' ' ' THR . 18.3 m-85 -69.7 84.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 110.849 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -120.27 -75.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.540000000000006 110.87 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.98 -33.37 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.450000000000003 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD21 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -65.88 -14.07 60.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 62.229999999999997 110.912 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.516 HG22 ' HD1' ' A' ' 11' ' ' PHE . 29.3 p -51.4 -33.24 29.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 111.158 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -103.15 -18.88 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.549999999999997 110.851 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -51.72 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.420000000000002 110.883 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.11 -33.79 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 72.299999999999997 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -55.23 -26.67 41.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 64.209999999999994 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -32.68 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.893 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.96 -31.08 12.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.904 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -32.92 68.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.856 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.69 -25.62 66.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -19.22 45.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.420000000000002 112.471 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -90.34 -26.11 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.951 0.405 . . . . 73.349999999999994 110.906 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -25.43 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 44.420000000000002 111.179 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.8 tp -106.86 -33.75 7.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 110.974 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 65.519999999999996 110.833 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.5 ' CB ' HD11 ' A' ' 4' ' ' ILE . 9.5 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 74.310000000000002 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -120.7 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 54.329999999999998 110.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.88 -18.84 20.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 73.519999999999996 110.899 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 1' ' ' LYS . 2.7 pp -75.32 -23.89 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 64.030000000000001 111.075 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 3.1 t -74.64 72.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 111.107 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.683 HG23 ' CE1' ' A' ' 11' ' ' PHE . 97.9 m -120.2 103.73 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.120000000000005 111.129 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 7' ' ' ILE . 5.0 mp -120.2 -81.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.099999999999994 111.131 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.26 -73.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.872 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -121.85 26.93 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.010000000000005 110.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mt -100.99 72.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 71.109999999999999 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.683 ' CE1' HG23 ' A' ' 6' ' ' THR . 3.2 m-85 -115.57 103.95 11.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 27.83 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.856 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 119.01 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 74.219999999999999 110.918 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.99 33.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -119.97 71.89 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 63.539999999999999 111.148 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -75.06 71.08 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.85 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -94.75 -75.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.863 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.93 -29.15 10.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.91 -31.52 72.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.874 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -57.41 -28.61 63.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.129999999999995 110.853 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -76.28 -27.57 56.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.887 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.12 -31.77 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.239999999999995 110.863 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.37 -27.99 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.219999999999999 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.42 54.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 74.200000000000003 112.512 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 -26.35 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 72.430000000000007 110.932 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -74.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 75.099999999999994 111.142 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -75.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 73.540000000000006 110.938 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.898 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.806 0.336 . . . . 74.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -120.48 -75.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 60.049999999999997 110.932 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.66 -9.02 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.69 -25.68 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 71.239999999999995 111.13 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.556 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -74.67 -29.39 61.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 111.137 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.9 114.43 26.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 53.229999999999997 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.42 -86.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 61.100000000000001 111.151 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -122.1 8.11 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 71.109999999999999 110.838 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -76.24 56.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 70.310000000000002 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -118.74 19.51 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 71.209999999999994 110.874 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.1 m-85 -72.04 120.24 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 64.209999999999994 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.77 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.049999999999997 110.845 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 68.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -80.04 -1.78 41.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.933 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -51.07 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 111.119 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -121.59 51.35 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 71.510000000000005 110.82 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -114.09 -77.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 71.519999999999996 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -42.07 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 65.430000000000007 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.81 -23.05 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.310000000000002 110.898 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -95.57 24.57 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.310000000000002 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -75.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.853 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -33.38 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.847 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.97 -26.19 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.230000000000004 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -21.06 75.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 64.340000000000003 112.46 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -91.86 -31.44 15.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 110.896 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.15 -74.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 111.15 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.12 -29.86 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 74.109999999999999 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.669 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 63.119999999999997 110.882 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -120.08 -74.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.61 -4.53 56.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.019999999999996 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.47 -20.74 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 53.520000000000003 111.116 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.669 HG23 ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -52.17 -29.1 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 50.539999999999999 111.14 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.601 ' HB ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -70.07 83.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.319999999999993 111.111 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.28 -76.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.13 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' CE1' HG21 ' A' ' 15' ' ' THR . 3.8 m-70 -63.34 -16.21 59.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 62.450000000000003 110.862 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -75.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -50.57 -52.08 42.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 70.5 110.92 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.2 p90 -115.2 117.85 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.855 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 -28.2 6.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.349999999999994 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -35.72 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -94.98 22.34 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 110.936 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -64.35 -74.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 111.114 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.42 -9.09 58.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 65.099999999999994 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 70.140000000000001 110.904 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.07 -32.44 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 64.349999999999994 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -29.48 21.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 72.540000000000006 110.921 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -60.47 -33.61 72.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 71.400000000000006 110.842 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -118.28 24.02 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -18.37 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.400000000000006 110.859 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -50.45 -38.06 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.02 -27.01 29.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 54.219999999999999 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.91 -33.46 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.979 0.418 . . . . 71.299999999999997 110.966 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.85 -74.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 70.439999999999998 111.121 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -28.07 30.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 64.030000000000001 110.982 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 71.129999999999995 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.797 0.332 . . . . 75.140000000000001 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.45 -76.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.901 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.24 -13.66 62.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.65 -24.39 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 55.229999999999997 111.103 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.538 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -68.17 -26.82 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 111.149 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.06 107.41 8.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 111.179 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.37 -85.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.89 8.16 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.861 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -76.47 55.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.230000000000004 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.75 -22.67 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.896 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.41 -30.79 20.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 72.310000000000002 110.895 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 43.59 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 72.120000000000005 110.891 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.310000000000002 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 -1.63 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.88 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 p -86.35 -11.28 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 111.166 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.44 101.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.02 -33.22 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 71.019999999999996 110.87 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 -32.97 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 64.109999999999999 110.882 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.43 -26.41 67.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.350000000000001 110.914 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.48 -30.02 19.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -76.26 -31.98 58.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.049999999999997 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -83.55 -32.95 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 63.130000000000003 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -26.32 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.875 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.87 -27.4 36.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 50.530000000000001 112.424 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -77.16 -29.13 54.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 73.439999999999998 110.873 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.98 -31.84 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 111.126 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -109.64 28.24 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.450000000000003 110.863 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.826 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.5 tttt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.815 0.34 . . . . 71.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -120.49 -75.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 65.409999999999997 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -9.09 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.349999999999994 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.63 -25.7 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 61.450000000000003 111.11 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -79.04 -28.21 43.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.209999999999994 111.171 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.48 45.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 111.114 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -86.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.140000000000001 111.126 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.614 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.0 m-70 -121.86 5.7 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 65.010000000000005 110.88 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -76.98 56.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.530000000000001 110.915 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.4 pt? -120.01 18.5 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.932 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -67.52 88.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -71.72 -26.56 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.099999999999994 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.08 120.31 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.873 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.34 16.07 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.409999999999997 110.9 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.0 p -120.13 72.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.76 53.3 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 65.310000000000002 110.837 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -61.33 -33.58 73.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 110.884 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.5 mt -120.02 -33.16 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.129999999999995 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.39 -25.72 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.549999999999997 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -65.45 -31.67 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -118.47 25.84 10.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.540000000000006 110.873 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.05 -18.51 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.894 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' HD2' HD12 ' A' ' 27' ' ' LEU . 33.8 p90 -50.83 -37.71 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 55.329999999999998 110.889 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.46 -28.48 21.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.219999999999999 112.507 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.08 -33.64 50.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.959 0.409 . . . . 74.420000000000002 110.92 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -39.86 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 73.019999999999996 111.14 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD12 ' HD2' ' A' ' 23' ' ' PHE . 5.0 mt -64.01 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.400000000000006 110.96 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.86 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 61.340000000000003 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.41 -76.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' CG ' HD22 ' A' ' 10' ' ' LEU . 4.0 mt-10 -90.7 -31.61 16.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 72.019999999999996 110.918 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.42 4.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 111.182 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.7 m -49.38 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.040000000000006 111.113 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 -81.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 43.450000000000003 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.5 -87.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.150000000000006 111.119 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.18 9.51 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 110.86 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.96 58.31 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 63.200000000000003 110.905 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' CG ' ' A' ' 3' ' ' GLU . 3.6 pp -85.5 5.66 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.329999999999998 110.896 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -54.19 120.24 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 74.150000000000006 110.87 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -120.07 -33.51 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 60.420000000000002 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG2' HD23 ' A' ' 14' ' ' LEU . 8.2 ptmt -117.72 -34.45 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 110.898 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.4 20.97 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.040000000000006 110.954 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.439999999999998 111.171 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.93 0.6 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 71.219999999999999 110.875 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -52.09 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.852 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.44 -32.52 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 62.310000000000002 110.892 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -53.8 -33.05 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 75.430000000000007 110.884 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -32.0 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.140000000000001 110.907 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -86.19 -29.56 23.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.829 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -27.6 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -28.18 63.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 110.845 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 -25.15 34.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 43.219999999999999 112.497 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -80.92 -28.12 35.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 60.420000000000002 110.93 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 -31.01 19.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 64.25 111.12 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -32.48 44.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.019999999999996 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 74.540000000000006 110.837 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.753 0.311 . . . . 72.299999999999997 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -120.48 -75.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 70.129999999999995 110.92 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.55 -9.08 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.922 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 5' ' ' THR . 2.9 pp -60.65 -25.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.091 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -82.11 -32.81 30.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.430000000000007 111.14 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -97.85 108.41 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 50.009999999999998 111.112 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.732 HD13 HD22 ' A' ' 10' ' ' LEU . 5.2 mp -105.45 -75.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.230000000000004 111.076 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -120.93 -67.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 110.858 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.49 -3.66 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 54.130000000000003 110.879 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.732 HD22 HD13 ' A' ' 7' ' ' ILE . 4.5 mp -51.28 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 63.149999999999999 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -96.38 21.79 8.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.239999999999995 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -120.73 56.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.019999999999996 110.831 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HG3' HD23 ' A' ' 14' ' ' LEU . 5.5 tptm -65.7 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.099999999999994 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' HG3' ' A' ' 13' ' ' LYS . 3.4 mm? -120.87 -91.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 65.400000000000006 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.8 -85.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 55.520000000000003 111.14 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -122.48 57.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.826 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 -8.06 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.909 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.04 -14.45 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.310000000000002 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -68.37 -33.25 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.519999999999996 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -120.02 27.52 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.329999999999998 110.837 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.64 -18.5 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 62.530000000000001 110.878 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -50.82 -37.63 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.49 -28.54 21.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 63.140000000000001 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -77.81 -33.7 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 72.400000000000006 110.96 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 55.240000000000002 111.158 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -30.06 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.230000000000004 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 110.885 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 71.239999999999995 110.918 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -120.96 -82.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 70.230000000000004 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.85 14.21 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' CG2' ' H2 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -113.48 -24.91 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 74.230000000000004 111.101 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HA ' ' A' ' 1' ' ' LYS . 5.4 p -48.63 123.48 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 51.340000000000003 111.137 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.474 ' HB ' HD21 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -118.77 98.69 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 71.450000000000003 111.086 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mt -120.04 -75.04 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 62.240000000000002 111.163 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -12.63 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 70.430000000000007 110.86 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -38.0 56.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 71.400000000000006 110.869 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -120.21 35.4 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 61.340000000000003 110.908 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.89 26.48 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 70.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -26.22 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.230000000000004 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 119.72 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.310000000000002 110.851 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 37.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.030000000000001 110.895 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.4 p -119.63 72.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 111.139 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -74.55 72.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 64.319999999999993 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -75.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.299999999999997 110.887 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 26.48 10.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 60.310000000000002 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -26.42 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.874 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -119.94 30.84 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -119.55 -32.72 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.819 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.83 -32.88 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.952 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.15 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.91 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.71 -19.19 54.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 71.409999999999997 112.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.23 -25.98 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 72.340000000000003 110.936 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.65 -74.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 63.420000000000002 111.151 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.78 59.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.878 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.409999999999997 110.897 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.781 0.324 . . . . 63.530000000000001 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -115.37 -74.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.918 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 -37.28 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 72.420000000000002 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -6.79 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.219999999999999 111.14 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 5' ' ' THR . 7.6 t -50.85 120.48 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.409999999999997 111.143 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 71.299999999999997 111.111 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 -82.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 63.310000000000002 111.165 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.44 4.75 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 55.509999999999998 110.865 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -30.85 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.100000000000001 110.869 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.5 mt -76.57 65.22 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 54.130000000000003 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB3' HD22 ' A' ' 14' ' ' LEU . 40.4 m-85 -77.28 61.71 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.873 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -75.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.869 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -103.15 80.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 11' ' ' PHE . 1.5 pt? -112.3 31.03 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 42.5 110.891 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.7 p -89.67 -78.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -121.68 5.82 10.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.822 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -80.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.329999999999998 110.864 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.58 -25.02 5.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 63.030000000000001 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -88.49 11.39 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.030000000000001 110.866 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -50.17 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.931 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -26.18 41.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.530000000000001 110.859 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -26.96 39.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 64.010000000000005 110.901 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' HE2' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -52.71 -29.47 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.010000000000005 110.908 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.09 28.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 64.230000000000004 112.507 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -77.33 -32.51 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.949 0.404 . . . . 71.310000000000002 110.896 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -31.94 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 63.340000000000003 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.09 -29.73 64.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.100000000000001 110.905 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 54.549999999999997 110.87 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.503 ' HB3' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 73.409999999999997 110.906 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -105.31 -70.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.951 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -53.42 -20.89 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 61.119999999999997 110.902 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 5' ' ' THR . 2.8 pp -62.6 -27.36 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 111.1 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.546 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.7 t -111.78 120.03 40.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 111.155 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.08 111.55 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.115 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -114.64 -68.48 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.530000000000001 111.098 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.18 13.35 12.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.329999999999998 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -41.2 -36.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 62.219999999999999 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.1 59.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 71.510000000000005 110.942 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -71.85 -21.81 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -98.31 21.31 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 73.430000000000007 110.852 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -95.89 -77.54 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.883 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -120.58 -31.83 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.947 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.3 p -59.53 -34.09 72.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 61.530000000000001 111.161 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -11.41 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.874 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -71.54 -26.12 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.846 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -32.93 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.917 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.73 -24.99 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.97 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 110.86 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -118.79 25.1 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 73.439999999999998 110.867 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.22 -18.48 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -50.83 -37.67 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.47 -28.49 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 72.299999999999997 112.477 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.11 -33.58 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 75.140000000000001 110.938 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -39.83 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 64.109999999999999 111.118 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -32.0 73.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.340000000000003 110.938 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.704 ' C ' HD12 ' A' ' 4' ' ' ILE . 2.4 tttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.767 0.318 . . . . 73.030000000000001 110.863 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' O ' HD13 ' A' ' 4' ' ' ILE . 28.1 t80 -114.33 -68.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 73.140000000000001 110.934 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -10.01 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.340000000000003 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.704 HD12 ' C ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -56.34 -19.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 111.146 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.49 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -93.64 20.29 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 111.153 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.420000000000002 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.24 -88.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 42.240000000000002 111.123 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -123.78 2.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 75.120000000000005 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -79.5 56.87 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -23.32 63.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.140000000000001 110.915 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -54.22 121.06 7.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.876 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -97.34 -74.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.439999999999998 110.86 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HD3' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -120.41 -75.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.88 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD23 ' HD3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -120.01 29.89 7.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 110.907 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -88.68 -19.1 26.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.163 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -46.85 100.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -113.83 -32.28 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 71.129999999999995 110.876 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.79 -32.5 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -27.2 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.030000000000001 110.842 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -27.42 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 62.200000000000003 110.905 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -69.22 -32.07 71.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.340000000000003 110.88 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.32 -32.67 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.019999999999996 110.923 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -26.31 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 64.150000000000006 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.81 -25.14 35.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 54.039999999999999 112.472 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.32 -27.04 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.991 0.424 . . . . 74.230000000000004 110.957 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -32.11 18.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 74.510000000000005 111.157 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -89.38 -30.06 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.009999999999998 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.915 179.951 . . . . . . . . 1 1 . 1 stop_ save_