data_2n5w_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n5w _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.501 -0.24 . . . . 62.44 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -89.57 -172.54 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 74.3 110.85 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.46 -72.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.204 -1.312 0 CA-C-O 125.272 2.463 . . . . 75.54 110.817 -179.796 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.813 0.34 . . . . 74.34 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -111.5 -32.14 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.203 -1.359 0 CA-C-O 124.677 2.179 . . . . 71.41 111.113 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.464 -0.254 . . . . 71.33 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -60.88 167.72 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 73.14 110.86 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 C--O 1.206 -1.236 0 CA-C-O 125.302 2.477 . . . . 73.12 110.826 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.847 0.356 . . . . 64.41 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -123.3 27.04 7.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 73.42 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.204 -1.336 0 CA-C-O 124.737 2.208 . . . . 74.53 111.161 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 74.42 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -107.0 161.45 14.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 71.24 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.67 -72.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.938 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.204 -1.298 0 CA-C-O 125.316 2.484 . . . . 61.24 110.844 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.819 0.342 . . . . 65.21 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -129.99 53.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 61.12 110.857 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 m . . . . . 0 C--O 1.203 -1.342 0 CA-C-O 124.664 2.173 . . . . 73.41 111.104 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.241 . . . . 75.45 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -118.56 173.54 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 71.14 110.852 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.86 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.491 . . . . 72.13 110.893 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.205 -1.283 0 CA-C-O 125.273 2.463 . . . . 62.31 110.845 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.777 0.322 . . . . 74.14 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -128.26 26.3 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 124.67 2.176 . . . . 73.44 111.081 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.488 -0.245 . . . . 61.33 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -161.39 156.12 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 74.43 110.865 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.68 -72.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.204 -1.301 0 CA-C-O 125.302 2.477 . . . . 65.25 110.846 -179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.795 0.331 . . . . 74.33 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -108.04 43.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.203 -1.363 0 CA-C-O 124.756 2.217 . . . . 75.24 111.172 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.481 -0.248 . . . . 74.51 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -66.7 156.61 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 64.33 110.826 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.34 -72.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 75.34 110.904 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 125.349 2.499 . . . . 72.35 110.817 -179.791 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.843 0.354 . . . . 73.34 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -128.38 26.21 5.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 75.34 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.202 -1.407 0 CA-C-O 124.744 2.211 . . . . 73.02 111.139 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.505 -0.238 . . . . 71.53 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m 56.72 93.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 71.24 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -87.44 -72.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 72.3 110.902 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.205 -1.285 0 CA-C-O 125.294 2.473 . . . . 74.33 110.832 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.832 0.348 . . . . 72.1 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.84 26.5 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.203 -1.37 0 CA-C-O 124.689 2.185 . . . . 74.14 111.092 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.469 -0.253 . . . . 74.44 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m 58.32 94.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 72.55 110.852 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -90.96 -72.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.205 -1.287 0 CA-C-O 125.301 2.476 . . . . 71.12 110.829 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 70.24 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.7 -32.14 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.885 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.203 -1.389 0 CA-C-O 124.739 2.209 . . . . 65.42 111.134 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 64.31 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -70.67 88.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 55.15 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.63 -72.7 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.205 -1.266 0 CA-C-O 125.324 2.488 . . . . 72.5 110.876 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.82 0.343 . . . . 74.4 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -116.21 -28.34 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.203 -1.385 0 CA-C-O 124.727 2.203 . . . . 62.23 111.136 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.476 -0.25 . . . . 75.22 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -64.49 -174.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 64.04 110.877 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.39 -72.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.205 -1.287 0 CA-C-O 125.292 2.472 . . . . 74.11 110.855 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 74.01 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -114.36 -43.2 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 65.4 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.202 -1.409 0 CA-C-O 124.77 2.224 . . . . 55.34 111.166 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.491 -0.244 . . . . 72.23 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.76 109.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 75.34 110.877 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -93.2 -72.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.492 . . . . 74.1 110.864 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.205 -1.278 0 CA-C-O 125.344 2.497 . . . . 74.24 110.847 -179.82 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 72.12 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -105.1 -25.62 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.203 -1.381 0 CA-C-O 124.718 2.199 . . . . 75.15 111.129 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.451 -0.26 . . . . 71.34 112.451 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -120.98 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 72.12 110.834 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -86.69 -72.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 74.51 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.204 -1.293 0 CA-C-O 125.338 2.494 . . . . 73.13 110.854 -179.822 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.812 0.339 . . . . 75.13 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.92 -35.05 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.5 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.203 -1.377 0 CA-C-O 124.706 2.193 . . . . 74.25 111.167 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 71.05 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -71.01 -169.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 72.42 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -86.79 -72.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.204 -1.299 0 CA-C-O 125.314 2.483 . . . . 51.34 110.839 -179.825 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.806 0.336 . . . . 73.32 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -139.42 -48.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.896 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.39 0 CA-C-O 124.745 2.212 . . . . 64.24 111.148 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.483 -0.247 . . . . 54.24 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -177.16 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 74.53 110.862 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.69 -72.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.205 -1.241 0 CA-C-O 125.292 2.473 . . . . 72.23 110.841 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.856 0.36 . . . . 74.42 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -31.65 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.389 0 CA-C-O 124.713 2.197 . . . . 75.23 111.142 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.472 -0.251 . . . . 74.31 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t -61.09 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 74.53 110.854 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -88.46 -72.52 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 73.21 110.918 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--O 1.205 -1.286 0 CA-C-O 125.305 2.479 . . . . 65.32 110.853 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.846 0.355 . . . . 72.43 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -134.69 -41.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.877 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.203 -1.362 0 CA-C-O 124.684 2.183 . . . . 75.3 111.109 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 74.14 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t -134.47 -175.4 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 75.45 110.819 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -88.32 -72.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 74.32 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.205 -1.264 0 CA-C-O 125.277 2.465 . . . . 74.4 110.832 -179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 74.44 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -117.23 -28.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.904 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.373 0 CA-C-O 124.709 2.195 . . . . 75.13 111.115 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.512 -0.235 . . . . 73.33 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -60.58 -170.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 65.3 110.851 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -87.47 -72.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.02 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 125.348 2.499 . . . . 70.01 110.878 -179.849 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.784 0.326 . . . . 75.35 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -127.09 -38.38 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.896 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.204 -1.331 0 CA-C-O 124.68 2.181 . . . . 74.45 111.102 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.249 . . . . 61.45 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.66 146.66 34.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 74.23 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.14 -72.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.33 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 125.261 2.458 . . . . 74.5 110.865 -179.803 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.792 0.33 . . . . 75.2 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -115.69 -23.45 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.203 -1.348 0 CA-C-O 124.675 2.178 . . . . 74.04 111.124 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.24 . . . . 55.12 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 58.01 95.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.01 110.841 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -87.14 -72.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 75.2 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.205 -1.275 0 CA-C-O 125.299 2.476 . . . . 75.45 110.861 -179.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 62.42 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -115.87 -24.07 8.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 63.52 110.832 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.203 -1.372 0 CA-C-O 124.702 2.192 . . . . 64.51 111.097 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.448 -0.261 . . . . 71.24 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -83.07 164.34 20.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 72.11 110.858 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.53 -72.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 70.21 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.204 -1.293 0 CA-C-O 125.279 2.466 . . . . 74.25 110.866 -179.84 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 74.23 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.03 27.28 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.203 -1.376 0 CA-C-O 124.736 2.208 . . . . 73.22 111.167 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.9 132.51 2.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 62.44 112.501 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -89.57 -172.54 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 74.3 110.85 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.46 -72.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -69.44 129.98 41.23 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-O 125.272 2.463 . . . . 75.54 110.817 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -72.87 -175.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 74.34 110.884 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -111.5 -32.14 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -68.42 -28.84 42.0 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.359 0 CA-C-O 124.677 2.179 . . . . 71.41 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.32 -0.854 . . . . 73.53 111.117 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.01 47.88 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.464 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -60.88 167.72 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 73.14 110.86 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.37 154.73 41.57 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-O 125.302 2.477 . . . . 73.12 110.826 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.37 138.05 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 64.41 110.866 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -123.3 27.04 7.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 73.42 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.87 -22.87 32.0 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.737 2.208 . . . . 74.53 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.296 -0.865 . . . . 74.52 111.121 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.5 76.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.491 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -107.0 161.45 14.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 71.24 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.67 -72.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.938 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -69.49 170.21 11.01 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 125.316 2.484 . . . . 61.24 110.844 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -82.28 141.56 32.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.889 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -129.99 53.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 61.12 110.857 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 m -108.56 -33.59 2.54 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.342 0 CA-C-O 124.664 2.173 . . . . 73.41 111.104 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.271 -0.877 . . . . 70.23 111.088 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.52 97.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 75.45 112.499 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -118.56 173.54 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 71.14 110.852 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.86 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.491 . . . . 72.13 110.893 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -68.97 158.2 35.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 125.273 2.463 . . . . 62.31 110.845 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -97.82 166.76 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 74.14 110.897 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -128.26 26.3 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.59 -24.47 35.92 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.345 0 CA-C-O 124.67 2.176 . . . . 73.44 111.081 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.258 -0.883 . . . . 74.34 111.129 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.89 130.42 1.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 61.33 112.488 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -161.39 156.12 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 74.43 110.865 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.68 -72.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -68.69 166.98 16.21 Favored 'General case' 0 C--O 1.204 -1.301 0 CA-C-O 125.302 2.477 . . . . 65.25 110.846 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -80.14 135.16 36.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 74.33 110.91 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -108.04 43.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m -103.99 -24.08 4.17 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 124.756 2.217 . . . . 75.24 111.172 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.27 -0.877 . . . . 72.22 111.122 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . 0.401 ' HA ' ' HZ1' ' A' ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.48 63.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 74.51 112.481 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -66.7 156.61 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 64.33 110.826 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.34 -72.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 75.34 110.904 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -76.89 66.81 2.82 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 125.349 2.499 . . . . 72.35 110.817 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -81.34 134.36 35.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 73.34 110.839 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -128.38 26.21 5.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 75.34 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 m -59.6 -30.97 45.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.407 0 CA-C-O 124.744 2.211 . . . . 73.02 111.139 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.257 -0.883 . . . . 75.22 111.08 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.89 -118.98 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 71.53 112.505 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m 56.72 93.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 71.24 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -87.44 -72.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 72.3 110.902 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -76.18 69.57 2.74 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-O 125.294 2.473 . . . . 74.33 110.832 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.15 135.89 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 72.1 110.905 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.84 26.5 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 m -86.38 -23.02 6.98 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.37 0 CA-C-O 124.689 2.185 . . . . 74.14 111.092 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.288 -0.869 . . . . 62.55 111.07 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.76 -105.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 74.44 112.469 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m 58.32 94.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 72.55 110.852 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -90.96 -72.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -74.54 74.96 1.98 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 125.301 2.476 . . . . 71.12 110.829 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -101.84 132.96 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 70.24 110.881 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.7 -32.14 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.885 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 m -51.97 -34.19 16.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.389 0 CA-C-O 124.739 2.209 . . . . 65.42 111.134 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 72.12 111.099 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.44 113.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 64.31 112.458 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -70.67 88.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 55.15 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.63 -72.7 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -77.01 65.62 2.69 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 125.324 2.488 . . . . 72.5 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -96.58 134.29 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.4 110.888 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -116.21 -28.34 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m -53.46 -31.85 19.56 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 CA-C-O 124.727 2.203 . . . . 62.23 111.136 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.294 -0.866 . . . . 64.44 111.097 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.16 117.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 75.22 112.476 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -64.49 -174.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 64.04 110.877 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.39 -72.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -64.77 -172.18 0.08 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 125.292 2.472 . . . . 74.11 110.855 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -103.4 -170.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 74.01 110.888 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -114.36 -43.2 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 65.4 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -58.15 -23.03 20.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 CA-C-O 124.77 2.224 . . . . 55.34 111.166 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.285 -0.87 . . . . 74.44 111.047 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.18 115.41 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 72.23 112.491 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.76 109.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 75.34 110.877 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -93.2 -72.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.492 . . . . 74.1 110.864 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -82.79 59.35 4.75 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-O 125.344 2.497 . . . . 74.24 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -98.59 135.41 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 72.12 110.838 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -105.1 -25.62 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -52.62 -28.29 12.54 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.381 0 CA-C-O 124.718 2.199 . . . . 75.15 111.129 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.254 -0.885 . . . . 61.2 111.116 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.57 128.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 71.34 112.451 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -120.98 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 72.12 110.834 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -86.69 -72.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 74.51 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -55.19 179.25 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 125.338 2.494 . . . . 73.13 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.29 138.85 42.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.13 110.892 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.92 -35.05 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.5 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m -51.68 -33.86 15.61 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 CA-C-O 124.706 2.193 . . . . 74.25 111.167 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.312 -0.858 . . . . 73.44 111.064 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.07 118.77 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.05 112.483 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -71.01 -169.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 72.42 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -86.79 -72.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 172.59 1.18 Allowed 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 125.314 2.483 . . . . 51.34 110.839 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -103.88 -170.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 73.32 110.909 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -139.42 -48.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.896 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m -51.95 -29.1 10.88 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.39 0 CA-C-O 124.745 2.212 . . . . 64.24 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.3 -0.863 . . . . 54.1 111.134 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.45 122.07 0.82 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 54.24 112.483 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -177.16 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 74.53 110.862 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.69 -72.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -53.94 170.95 0.11 Allowed 'General case' 0 C--O 1.205 -1.241 0 CA-C-O 125.292 2.473 . . . . 72.23 110.841 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -112.77 131.85 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 74.42 110.868 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -31.65 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m -51.68 -33.72 15.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.389 0 CA-C-O 124.713 2.197 . . . . 75.23 111.142 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.239 -0.891 . . . . 70.43 111.12 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.31 137.77 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 74.31 112.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t -61.09 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 74.53 110.854 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -88.46 -72.52 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 73.21 110.918 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -81.87 -72.3 0.44 Allowed 'General case' 0 C--O 1.205 -1.286 0 CA-C-O 125.305 2.479 . . . . 65.32 110.853 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.44 -177.3 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 72.43 110.907 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -134.69 -41.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.877 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -58.84 -27.39 35.0 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 124.684 2.183 . . . . 75.3 111.109 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.272 -0.876 . . . . 71.44 111.112 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.88 136.49 3.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.14 112.474 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t -134.47 -175.4 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 75.45 110.819 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -88.32 -72.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 74.32 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -54.95 158.68 2.67 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-O 125.277 2.465 . . . . 74.4 110.832 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.47 131.85 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 74.44 110.901 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -117.23 -28.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.904 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m -53.49 -27.82 14.97 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 CA-C-O 124.709 2.195 . . . . 75.13 111.115 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 74.51 111.077 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.07 134.26 1.66 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 73.33 112.512 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -60.58 -170.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 65.3 110.851 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -87.47 -72.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.02 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p -80.82 -72.41 0.42 Allowed 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 125.348 2.499 . . . . 70.01 110.878 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -112.74 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 75.35 110.919 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -127.09 -38.38 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.896 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m -59.42 -27.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 CA-C-O 124.68 2.181 . . . . 74.45 111.102 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.22 -0.9 . . . . 73.31 111.079 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.49 119.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.476 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.66 146.66 34.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 74.23 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.14 -72.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.33 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -56.04 -174.82 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 125.261 2.458 . . . . 74.5 110.865 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -118.53 146.01 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 75.2 110.929 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -115.69 -23.45 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -51.56 -29.44 9.87 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.348 0 CA-C-O 124.675 2.178 . . . . 74.04 111.124 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.214 -0.903 . . . . 75.43 111.12 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.79 -114.33 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 55.12 112.499 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 58.01 95.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.01 110.841 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -87.14 -72.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 75.2 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -82.16 60.18 4.8 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-O 125.299 2.476 . . . . 75.45 110.861 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -104.94 135.1 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 62.42 110.865 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -115.87 -24.07 8.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 63.52 110.832 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -51.5 -29.77 10.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 CA-C-O 124.702 2.192 . . . . 64.51 111.097 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.275 -0.875 . . . . 73.15 111.112 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.71 54.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 71.24 112.448 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -83.07 164.34 20.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 72.11 110.858 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.53 -72.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 70.21 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -69.13 157.5 36.74 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 125.279 2.466 . . . . 74.25 110.866 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -90.18 146.1 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 74.23 110.904 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.03 27.28 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.81 -25.02 33.61 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 CA-C-O 124.736 2.208 . . . . 73.22 111.167 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.29 -0.868 . . . . 71.34 111.128 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.501 -0.24 . . . . 62.439999999999998 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -89.57 -172.54 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 74.299999999999997 110.85 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.46 -72.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.204 -1.312 0 CA-C-O 125.272 2.463 . . . . 75.540000000000006 110.817 -179.796 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.813 0.34 . . . . 74.340000000000003 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -111.5 -32.14 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.230000000000004 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.203 -1.359 0 CA-C-O 124.677 2.179 . . . . 71.409999999999997 111.113 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.464 -0.254 . . . . 71.329999999999998 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -60.88 167.72 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 72.030000000000001 110.86 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 C--O 1.206 -1.236 0 CA-C-O 125.302 2.477 . . . . 65.019999999999996 110.826 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.847 0.356 . . . . 63.549999999999997 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -123.3 27.04 7.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 73.420000000000002 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.204 -1.336 0 CA-C-O 124.737 2.208 . . . . 71.430000000000007 111.161 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 74.420000000000002 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -107.0 161.45 14.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 64.510000000000005 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.67 -72.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.938 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.204 -1.298 0 CA-C-O 125.316 2.484 . . . . 40.409999999999997 110.844 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.819 0.342 . . . . 65.209999999999994 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -129.99 53.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 61.119999999999997 110.857 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 m . . . . . 0 C--O 1.203 -1.342 0 CA-C-O 124.664 2.173 . . . . 73.409999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.241 . . . . 65.019999999999996 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -118.56 173.54 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 63.109999999999999 110.852 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.86 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 110.893 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.205 -1.283 0 CA-C-O 125.273 2.463 . . . . 55.399999999999999 110.845 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.777 0.322 . . . . 74.140000000000001 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -128.26 26.3 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 124.67 2.176 . . . . 65.329999999999998 111.081 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.488 -0.245 . . . . 51.439999999999998 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -161.39 156.12 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 74.430000000000007 110.865 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.68 -72.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.204 -1.301 0 CA-C-O 125.302 2.477 . . . . 65.25 110.846 -179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.795 0.331 . . . . 64.140000000000001 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -108.04 43.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.203 -1.363 0 CA-C-O 124.756 2.217 . . . . 62.340000000000003 111.172 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.481 -0.248 . . . . 74.510000000000005 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -66.7 156.61 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 61.119999999999997 110.826 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.34 -72.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 75.340000000000003 110.904 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 125.349 2.499 . . . . 72.349999999999994 110.817 -179.791 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.843 0.354 . . . . 73.340000000000003 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -128.38 26.21 5.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.202 -1.407 0 CA-C-O 124.744 2.211 . . . . 73.019999999999996 111.139 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.505 -0.238 . . . . 71.530000000000001 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m 56.72 93.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 64.109999999999999 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -87.44 -72.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 72.299999999999997 110.902 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.205 -1.285 0 CA-C-O 125.294 2.473 . . . . 53.030000000000001 110.832 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.832 0.348 . . . . 64.310000000000002 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.84 26.5 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.203 -1.37 0 CA-C-O 124.689 2.185 . . . . 74.140000000000001 111.092 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.469 -0.253 . . . . 74.439999999999998 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m 58.32 94.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.852 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -90.96 -72.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.205 -1.287 0 CA-C-O 125.301 2.476 . . . . 71.120000000000005 110.829 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 70.239999999999995 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.7 -32.14 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.885 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.203 -1.389 0 CA-C-O 124.739 2.209 . . . . 64.099999999999994 111.134 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 64.310000000000002 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -70.67 88.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 55.149999999999999 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.63 -72.7 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.205 -1.266 0 CA-C-O 125.324 2.488 . . . . 72.5 110.876 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.82 0.343 . . . . 74.400000000000006 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -116.21 -28.34 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 53.009999999999998 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.203 -1.385 0 CA-C-O 124.727 2.203 . . . . 53.210000000000001 111.136 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.476 -0.25 . . . . 64.409999999999997 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -64.49 -174.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 64.040000000000006 110.877 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.39 -72.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.205 -1.287 0 CA-C-O 125.292 2.472 . . . . 65.430000000000007 110.855 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 74.010000000000005 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -114.36 -43.2 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.202 -1.409 0 CA-C-O 124.77 2.224 . . . . 55.340000000000003 111.166 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.491 -0.244 . . . . 71.420000000000002 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.76 109.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 73.439999999999998 110.877 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -93.2 -72.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.492 . . . . 74.099999999999994 110.864 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.205 -1.278 0 CA-C-O 125.344 2.497 . . . . 73.25 110.847 -179.82 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 65.430000000000007 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -105.1 -25.62 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.203 -1.381 0 CA-C-O 124.718 2.199 . . . . 52.439999999999998 111.129 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.451 -0.26 . . . . 64.340000000000003 112.451 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -120.98 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 72.120000000000005 110.834 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -86.69 -72.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 74.510000000000005 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.204 -1.293 0 CA-C-O 125.338 2.494 . . . . 71.530000000000001 110.854 -179.822 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.812 0.339 . . . . 60.409999999999997 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.92 -35.05 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.203 -1.377 0 CA-C-O 124.706 2.193 . . . . 74.25 111.167 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 52.210000000000001 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -71.01 -169.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 71.200000000000003 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -86.79 -72.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 71.120000000000005 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.204 -1.299 0 CA-C-O 125.314 2.483 . . . . 51.340000000000003 110.839 -179.825 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.806 0.336 . . . . 64.430000000000007 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -139.42 -48.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.896 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.39 0 CA-C-O 124.745 2.212 . . . . 63.229999999999997 111.148 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.483 -0.247 . . . . 54.240000000000002 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -177.16 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 64.439999999999998 110.862 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.69 -72.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.205 -1.241 0 CA-C-O 125.292 2.473 . . . . 54.329999999999998 110.841 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.856 0.36 . . . . 74.420000000000002 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -31.65 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 74.510000000000005 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.389 0 CA-C-O 124.713 2.197 . . . . 75.230000000000004 111.142 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.472 -0.251 . . . . 53.109999999999999 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t -61.09 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 74.530000000000001 110.854 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -88.46 -72.52 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 73.209999999999994 110.918 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--O 1.205 -1.286 0 CA-C-O 125.305 2.479 . . . . 52.32 110.853 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.846 0.355 . . . . 71.310000000000002 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -134.69 -41.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.209999999999994 110.877 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.203 -1.362 0 CA-C-O 124.684 2.183 . . . . 74.129999999999995 111.109 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 23.32 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t -134.47 -175.4 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 110.819 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -88.32 -72.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 74.319999999999993 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.205 -1.264 0 CA-C-O 125.277 2.465 . . . . 74.400000000000006 110.832 -179.817 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 74.439999999999998 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -117.23 -28.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.904 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.373 0 CA-C-O 124.709 2.195 . . . . 75.129999999999995 111.115 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.512 -0.235 . . . . 71.549999999999997 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -60.58 -170.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 65.299999999999997 110.851 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -87.47 -72.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 64.400000000000006 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 125.348 2.499 . . . . 30.329999999999998 110.878 -179.849 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.784 0.326 . . . . 75.310000000000002 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -127.09 -38.38 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 60.43 110.896 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.204 -1.331 0 CA-C-O 124.68 2.181 . . . . 74.450000000000003 111.102 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.249 . . . . 33.549999999999997 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.66 146.66 34.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 74.230000000000004 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.14 -72.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.329999999999998 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 125.261 2.458 . . . . 63.509999999999998 110.865 -179.803 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.792 0.33 . . . . 64.109999999999999 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -115.69 -23.45 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.430000000000007 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.203 -1.348 0 CA-C-O 124.675 2.178 . . . . 72.329999999999998 111.124 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.24 . . . . 55.119999999999997 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 58.01 95.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.010000000000005 110.841 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -87.14 -72.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 65.519999999999996 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.205 -1.275 0 CA-C-O 125.299 2.476 . . . . 75.450000000000003 110.861 -179.82 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 61.049999999999997 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -115.87 -24.07 8.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 63.520000000000003 110.832 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.203 -1.372 0 CA-C-O 124.702 2.192 . . . . 60.119999999999997 111.097 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.448 -0.261 . . . . 71.239999999999995 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -83.07 164.34 20.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.858 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.53 -72.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 62.5 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.204 -1.293 0 CA-C-O 125.279 2.466 . . . . 74.040000000000006 110.866 -179.84 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 74.230000000000004 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.03 27.28 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.203 -1.376 0 CA-C-O 124.736 2.208 . . . . 73.219999999999999 111.167 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.9 132.51 2.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 62.439999999999998 112.501 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -89.57 -172.54 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 74.299999999999997 110.85 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.46 -72.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -69.44 129.98 41.23 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-O 125.272 2.463 . . . . 75.540000000000006 110.817 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -72.87 -175.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 74.340000000000003 110.884 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -111.5 -32.14 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.230000000000004 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG23 ' H ' ' A' ' 13' ' ' ALA . 16.8 m -68.42 -28.84 42.0 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.359 0 CA-C-O 124.677 2.179 . . . . 71.409999999999997 111.113 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.32 -0.854 . . . . 65.420000000000002 111.117 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.01 47.88 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 71.329999999999998 112.464 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -60.88 167.72 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 72.030000000000001 110.86 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.37 154.73 41.57 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-O 125.302 2.477 . . . . 65.019999999999996 110.826 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.37 138.05 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 63.549999999999997 110.866 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -123.3 27.04 7.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 73.420000000000002 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.656 HG23 ' H ' ' A' ' 13' ' ' ALA . 16.1 m -63.87 -22.87 32.0 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.737 2.208 . . . . 71.430000000000007 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.296 -0.865 . . . . 74.140000000000001 111.121 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.661 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.5 76.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 74.420000000000002 112.491 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -107.0 161.45 14.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 64.510000000000005 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.67 -72.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.938 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -69.49 170.21 11.01 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 125.316 2.484 . . . . 40.409999999999997 110.844 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -82.28 141.56 32.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.209999999999994 110.889 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -129.99 53.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 61.119999999999997 110.857 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG12 ' N ' ' A' ' 2' ' ' 4FO . 10.4 m -108.56 -33.59 2.54 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.342 0 CA-C-O 124.664 2.173 . . . . 73.409999999999997 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.271 -0.877 . . . . 70.230000000000004 111.088 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.484 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.52 97.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 65.019999999999996 112.499 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -118.56 173.54 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 63.109999999999999 110.852 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.86 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 110.893 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -68.97 158.2 35.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 125.273 2.463 . . . . 55.399999999999999 110.845 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -97.82 166.76 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 74.140000000000001 110.897 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -128.26 26.3 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 13' ' ' ALA . 14.7 m -63.59 -24.47 35.92 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.345 0 CA-C-O 124.67 2.176 . . . . 65.329999999999998 111.081 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.258 -0.883 . . . . 74.340000000000003 111.129 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.643 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.89 130.42 1.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 51.439999999999998 112.488 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -161.39 156.12 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 74.430000000000007 110.865 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.68 -72.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -68.69 166.98 16.21 Favored 'General case' 0 C--O 1.204 -1.301 0 CA-C-O 125.302 2.477 . . . . 65.25 110.846 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -80.14 135.16 36.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 64.140000000000001 110.91 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -108.04 43.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.643 HG12 ' N ' ' A' ' 2' ' ' 4FO . 14.2 m -103.99 -24.08 4.17 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 124.756 2.217 . . . . 62.340000000000003 111.172 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.27 -0.877 . . . . 61.219999999999999 111.122 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.48 63.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 74.510000000000005 112.481 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -66.7 156.61 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 61.119999999999997 110.826 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.34 -72.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 75.340000000000003 110.904 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -76.89 66.81 2.82 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 125.349 2.499 . . . . 72.349999999999994 110.817 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -81.34 134.36 35.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 73.340000000000003 110.839 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -128.38 26.21 5.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 m -59.6 -30.97 45.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.407 0 CA-C-O 124.744 2.211 . . . . 73.019999999999996 111.139 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.257 -0.883 . . . . 75.219999999999999 111.08 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.477 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.89 -118.98 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 71.530000000000001 112.505 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m 56.72 93.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 64.109999999999999 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -87.44 -72.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 72.299999999999997 110.902 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -76.18 69.57 2.74 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-O 125.294 2.473 . . . . 53.030000000000001 110.832 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.15 135.89 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 64.310000000000002 110.905 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.84 26.5 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.732 HG23 ' H ' ' A' ' 13' ' ' ALA . 21.9 m -86.38 -23.02 6.98 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.37 0 CA-C-O 124.689 2.185 . . . . 74.140000000000001 111.092 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.732 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.288 -0.869 . . . . 50.43 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.405 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.76 -105.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 74.439999999999998 112.469 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m 58.32 94.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.852 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -90.96 -72.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -74.54 74.96 1.98 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 125.301 2.476 . . . . 71.120000000000005 110.829 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -101.84 132.96 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 70.239999999999995 110.881 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.7 -32.14 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.885 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 2' ' ' 4FO . 6.2 m -51.97 -34.19 16.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.389 0 CA-C-O 124.739 2.209 . . . . 64.099999999999994 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 62.32 111.099 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.463 ' C ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.44 113.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 64.310000000000002 112.458 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -70.67 88.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 55.149999999999999 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.63 -72.7 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -77.01 65.62 2.69 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 125.324 2.488 . . . . 72.5 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -96.58 134.29 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.400000000000006 110.888 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -116.21 -28.34 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 53.009999999999998 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG12 ' C ' ' A' ' 2' ' ' 4FO . 6.7 m -53.46 -31.85 19.56 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 CA-C-O 124.727 2.203 . . . . 53.210000000000001 111.136 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.294 -0.866 . . . . 64.439999999999998 111.097 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.16 117.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 64.409999999999997 112.476 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -64.49 -174.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 64.040000000000006 110.877 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.39 -72.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -64.77 -172.18 0.08 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 125.292 2.472 . . . . 65.430000000000007 110.855 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DAB . . . . . 0.401 ' C ' ' HD1' ' A' ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -103.4 -170.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 74.010000000000005 110.888 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -114.36 -43.2 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG23 ' H ' ' A' ' 13' ' ' ALA . 31.5 m -58.15 -23.03 20.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 CA-C-O 124.77 2.224 . . . . 55.340000000000003 111.166 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.753 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.285 -0.87 . . . . 74.439999999999998 111.047 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.647 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.18 115.41 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 71.420000000000002 112.491 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.434 ' HB3' ' HD2' ' A' ' 7' ' ' DAB . 0.3 OUTLIER -177.76 109.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 73.439999999999998 110.877 -179.746 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -93.2 -72.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.492 . . . . 74.099999999999994 110.864 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -82.79 59.35 4.75 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-O 125.344 2.497 . . . . 73.25 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DAB . . . . . 0.434 ' HD2' ' HB3' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -98.59 135.41 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 65.430000000000007 110.838 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -105.1 -25.62 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.726 HG23 ' H ' ' A' ' 13' ' ' ALA . 30.5 m -52.62 -28.29 12.54 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.381 0 CA-C-O 124.718 2.199 . . . . 52.439999999999998 111.129 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.254 -0.885 . . . . 61.200000000000003 111.116 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.494 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.57 128.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 64.340000000000003 112.451 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -120.98 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 72.120000000000005 110.834 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -86.69 -72.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 74.510000000000005 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -55.19 179.25 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 125.338 2.494 . . . . 71.530000000000001 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.29 138.85 42.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 60.409999999999997 110.892 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.92 -35.05 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 2' ' ' 4FO . 6.7 m -51.68 -33.86 15.61 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 CA-C-O 124.706 2.193 . . . . 74.25 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.312 -0.858 . . . . 73.439999999999998 111.064 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.07 118.77 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.210000000000001 112.483 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -71.01 -169.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 71.200000000000003 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -86.79 -72.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 71.120000000000005 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 172.59 1.18 Allowed 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 125.314 2.483 . . . . 51.340000000000003 110.839 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -103.88 -170.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 64.430000000000007 110.909 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -139.42 -48.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.896 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.662 HG23 ' H ' ' A' ' 13' ' ' ALA . 6.4 m -51.95 -29.1 10.88 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.39 0 CA-C-O 124.745 2.212 . . . . 63.229999999999997 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.662 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.3 -0.863 . . . . 54.100000000000001 111.134 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.495 ' C ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.45 122.07 0.82 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 54.240000000000002 112.483 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -177.16 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 64.439999999999998 110.862 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.69 -72.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -53.94 170.95 0.11 Allowed 'General case' 0 C--O 1.205 -1.241 0 CA-C-O 125.292 2.473 . . . . 54.329999999999998 110.841 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -112.77 131.85 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 74.420000000000002 110.868 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -31.65 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 74.510000000000005 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG12 ' C ' ' A' ' 2' ' ' 4FO . 6.4 m -51.68 -33.72 15.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.389 0 CA-C-O 124.713 2.197 . . . . 75.230000000000004 111.142 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.239 -0.891 . . . . 70.430000000000007 111.12 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . 0.767 ' CO1' HG21 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.31 137.77 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 53.109999999999999 112.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t -61.09 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 74.530000000000001 110.854 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -88.46 -72.52 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 73.209999999999994 110.918 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -81.87 -72.3 0.44 Allowed 'General case' 0 C--O 1.205 -1.286 0 CA-C-O 125.305 2.479 . . . . 52.32 110.853 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.44 -177.3 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 71.310000000000002 110.907 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -134.69 -41.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.209999999999994 110.877 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.767 HG21 ' CO1' ' A' ' 1' ' ' 4N3 . 11.6 m -58.84 -27.39 35.0 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 124.684 2.183 . . . . 74.129999999999995 111.109 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.744 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.272 -0.876 . . . . 71.439999999999998 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.88 136.49 3.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 23.32 112.474 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t -134.47 -175.4 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 110.819 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -88.32 -72.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 74.319999999999993 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -54.95 158.68 2.67 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-O 125.277 2.465 . . . . 74.400000000000006 110.832 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.47 131.85 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 74.439999999999998 110.901 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -117.23 -28.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.904 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 13' ' ' ALA . 6.4 m -53.49 -27.82 14.97 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 CA-C-O 124.709 2.195 . . . . 75.129999999999995 111.115 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 64.519999999999996 111.077 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.07 134.26 1.66 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 71.549999999999997 112.512 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -60.58 -170.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 65.299999999999997 110.851 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -87.47 -72.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 64.400000000000006 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p -80.82 -72.41 0.42 Allowed 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 125.348 2.499 . . . . 30.329999999999998 110.878 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -112.74 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 75.310000000000002 110.919 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -127.09 -38.38 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 60.43 110.896 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG23 ' H ' ' A' ' 13' ' ' ALA . 21.1 m -59.42 -27.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 CA-C-O 124.68 2.181 . . . . 74.450000000000003 111.102 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.22 -0.9 . . . . 73.310000000000002 111.079 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.682 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.49 119.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 33.549999999999997 112.476 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.66 146.66 34.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 74.230000000000004 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.14 -72.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.329999999999998 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -56.04 -174.82 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 125.261 2.458 . . . . 63.509999999999998 110.865 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -118.53 146.01 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 64.109999999999999 110.929 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -115.69 -23.45 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.430000000000007 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG23 ' H ' ' A' ' 13' ' ' ALA . 31.1 m -51.56 -29.44 9.87 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.348 0 CA-C-O 124.675 2.178 . . . . 72.329999999999998 111.124 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.214 -0.903 . . . . 44.229999999999997 111.12 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.621 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.79 -114.33 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 55.119999999999997 112.499 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 58.01 95.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.010000000000005 110.841 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -87.14 -72.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 65.519999999999996 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -82.16 60.18 4.8 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-O 125.299 2.476 . . . . 75.450000000000003 110.861 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -104.94 135.1 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 61.049999999999997 110.865 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -115.87 -24.07 8.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 63.520000000000003 110.832 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 2' ' ' 4FO . 6.3 m -51.5 -29.77 10.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 CA-C-O 124.702 2.192 . . . . 60.119999999999997 111.097 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.275 -0.875 . . . . 73.150000000000006 111.112 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' 4FO . . . . . 0.645 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.71 54.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 71.239999999999995 112.448 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -83.07 164.34 20.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.858 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.53 -72.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 62.5 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -69.13 157.5 36.74 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 125.279 2.466 . . . . 74.040000000000006 110.866 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -90.18 146.1 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 74.230000000000004 110.904 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.03 27.28 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.645 HG12 ' N ' ' A' ' 2' ' ' 4FO . 15.4 m -66.81 -25.02 33.61 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 CA-C-O 124.736 2.208 . . . . 73.219999999999999 111.167 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.59 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.29 -0.868 . . . . 53.240000000000002 111.128 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.501 -0.24 . . . . 62.439999999999998 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -89.57 -172.54 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 74.299999999999997 110.85 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.46 -72.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.204 -1.312 0 CA-C-O 125.272 2.463 . . . . 75.540000000000006 110.817 -179.796 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.813 0.34 . . . . 74.340000000000003 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -111.5 -32.14 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.230000000000004 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.203 -1.359 0 CA-C-O 124.677 2.179 . . . . 71.409999999999997 111.113 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.464 -0.254 . . . . 71.329999999999998 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -60.88 167.72 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 72.030000000000001 110.86 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 C--O 1.206 -1.236 0 CA-C-O 125.302 2.477 . . . . 65.019999999999996 110.826 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.847 0.356 . . . . 63.549999999999997 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -123.3 27.04 7.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 73.420000000000002 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.204 -1.336 0 CA-C-O 124.737 2.208 . . . . 71.430000000000007 111.161 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 74.420000000000002 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -107.0 161.45 14.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 64.510000000000005 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.67 -72.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.938 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.204 -1.298 0 CA-C-O 125.316 2.484 . . . . 40.409999999999997 110.844 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.819 0.342 . . . . 65.209999999999994 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -129.99 53.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 61.119999999999997 110.857 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 m . . . . . 0 C--O 1.203 -1.342 0 CA-C-O 124.664 2.173 . . . . 73.409999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.241 . . . . 65.019999999999996 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -118.56 173.54 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 63.109999999999999 110.852 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.86 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 110.893 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.205 -1.283 0 CA-C-O 125.273 2.463 . . . . 55.399999999999999 110.845 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.777 0.322 . . . . 74.140000000000001 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -128.26 26.3 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 124.67 2.176 . . . . 65.329999999999998 111.081 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.488 -0.245 . . . . 51.439999999999998 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -161.39 156.12 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 74.430000000000007 110.865 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.68 -72.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.204 -1.301 0 CA-C-O 125.302 2.477 . . . . 65.25 110.846 -179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.795 0.331 . . . . 64.140000000000001 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -108.04 43.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.203 -1.363 0 CA-C-O 124.756 2.217 . . . . 62.340000000000003 111.172 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.481 -0.248 . . . . 74.510000000000005 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -66.7 156.61 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 61.119999999999997 110.826 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.34 -72.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 75.340000000000003 110.904 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 125.349 2.499 . . . . 72.349999999999994 110.817 -179.791 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.843 0.354 . . . . 73.340000000000003 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -128.38 26.21 5.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.202 -1.407 0 CA-C-O 124.744 2.211 . . . . 73.019999999999996 111.139 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.505 -0.238 . . . . 71.530000000000001 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m 56.72 93.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 64.109999999999999 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -87.44 -72.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 72.299999999999997 110.902 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.205 -1.285 0 CA-C-O 125.294 2.473 . . . . 53.030000000000001 110.832 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.832 0.348 . . . . 64.310000000000002 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.84 26.5 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.203 -1.37 0 CA-C-O 124.689 2.185 . . . . 74.140000000000001 111.092 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.469 -0.253 . . . . 74.439999999999998 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m 58.32 94.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.852 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -90.96 -72.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.205 -1.287 0 CA-C-O 125.301 2.476 . . . . 71.120000000000005 110.829 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 70.239999999999995 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.7 -32.14 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.885 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.203 -1.389 0 CA-C-O 124.739 2.209 . . . . 64.099999999999994 111.134 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 64.310000000000002 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -70.67 88.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 55.149999999999999 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.63 -72.7 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.205 -1.266 0 CA-C-O 125.324 2.488 . . . . 72.5 110.876 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.82 0.343 . . . . 74.400000000000006 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -116.21 -28.34 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 53.009999999999998 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.203 -1.385 0 CA-C-O 124.727 2.203 . . . . 53.210000000000001 111.136 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.476 -0.25 . . . . 64.409999999999997 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -64.49 -174.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 64.040000000000006 110.877 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.39 -72.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.205 -1.287 0 CA-C-O 125.292 2.472 . . . . 65.430000000000007 110.855 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 74.010000000000005 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -114.36 -43.2 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.202 -1.409 0 CA-C-O 124.77 2.224 . . . . 55.340000000000003 111.166 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.491 -0.244 . . . . 71.420000000000002 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.76 109.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 73.439999999999998 110.877 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -93.2 -72.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.492 . . . . 74.099999999999994 110.864 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.205 -1.278 0 CA-C-O 125.344 2.497 . . . . 73.25 110.847 -179.82 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 65.430000000000007 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -105.1 -25.62 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.203 -1.381 0 CA-C-O 124.718 2.199 . . . . 52.439999999999998 111.129 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.451 -0.26 . . . . 64.340000000000003 112.451 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -120.98 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 72.120000000000005 110.834 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -86.69 -72.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 74.510000000000005 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.204 -1.293 0 CA-C-O 125.338 2.494 . . . . 71.530000000000001 110.854 -179.822 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.812 0.339 . . . . 60.409999999999997 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.92 -35.05 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.203 -1.377 0 CA-C-O 124.706 2.193 . . . . 74.25 111.167 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 52.210000000000001 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -71.01 -169.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 71.200000000000003 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -86.79 -72.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 71.120000000000005 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.204 -1.299 0 CA-C-O 125.314 2.483 . . . . 51.340000000000003 110.839 -179.825 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.806 0.336 . . . . 64.430000000000007 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -139.42 -48.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.896 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.39 0 CA-C-O 124.745 2.212 . . . . 63.229999999999997 111.148 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.483 -0.247 . . . . 54.240000000000002 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -177.16 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 64.439999999999998 110.862 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.69 -72.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.205 -1.241 0 CA-C-O 125.292 2.473 . . . . 54.329999999999998 110.841 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.856 0.36 . . . . 74.420000000000002 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -31.65 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 74.510000000000005 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.389 0 CA-C-O 124.713 2.197 . . . . 75.230000000000004 111.142 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.472 -0.251 . . . . 53.109999999999999 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t -61.09 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 74.530000000000001 110.854 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -88.46 -72.52 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 73.209999999999994 110.918 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--O 1.205 -1.286 0 CA-C-O 125.305 2.479 . . . . 52.32 110.853 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.846 0.355 . . . . 71.310000000000002 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -134.69 -41.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.209999999999994 110.877 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.203 -1.362 0 CA-C-O 124.684 2.183 . . . . 74.129999999999995 111.109 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 23.32 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t -134.47 -175.4 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 110.819 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -88.32 -72.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 74.319999999999993 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.205 -1.264 0 CA-C-O 125.277 2.465 . . . . 74.400000000000006 110.832 -179.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 74.439999999999998 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -117.23 -28.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.904 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.203 -1.373 0 CA-C-O 124.709 2.195 . . . . 75.129999999999995 111.115 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.512 -0.235 . . . . 71.549999999999997 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -60.58 -170.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 65.299999999999997 110.851 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -87.47 -72.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 64.400000000000006 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 125.348 2.499 . . . . 30.329999999999998 110.878 -179.849 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.784 0.326 . . . . 75.310000000000002 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -127.09 -38.38 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 60.43 110.896 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.204 -1.331 0 CA-C-O 124.68 2.181 . . . . 74.450000000000003 111.102 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.249 . . . . 33.549999999999997 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.66 146.66 34.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 74.230000000000004 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.14 -72.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.329999999999998 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 125.261 2.458 . . . . 63.509999999999998 110.865 -179.803 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.792 0.33 . . . . 64.109999999999999 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -115.69 -23.45 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.430000000000007 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.203 -1.348 0 CA-C-O 124.675 2.178 . . . . 72.329999999999998 111.124 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.24 . . . . 55.119999999999997 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 58.01 95.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.010000000000005 110.841 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -87.14 -72.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 65.519999999999996 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.205 -1.275 0 CA-C-O 125.299 2.476 . . . . 75.450000000000003 110.861 -179.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 61.049999999999997 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -115.87 -24.07 8.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 63.520000000000003 110.832 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.203 -1.372 0 CA-C-O 124.702 2.192 . . . . 60.119999999999997 111.097 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.448 -0.261 . . . . 71.239999999999995 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -83.07 164.34 20.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.858 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.53 -72.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 62.5 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.204 -1.293 0 CA-C-O 125.279 2.466 . . . . 74.040000000000006 110.866 -179.84 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 74.230000000000004 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.03 27.28 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.203 -1.376 0 CA-C-O 124.736 2.208 . . . . 73.219999999999999 111.167 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.9 132.51 2.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 62.439999999999998 112.501 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -89.57 -172.54 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 74.299999999999997 110.85 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.46 -72.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -69.44 129.98 41.23 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-O 125.272 2.463 . . . . 75.540000000000006 110.817 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -72.87 -175.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 74.340000000000003 110.884 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -111.5 -32.14 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.230000000000004 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG23 ' H ' ' A' ' 13' ' ' ALA . 16.8 m -68.42 -28.84 42.0 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.359 0 CA-C-O 124.677 2.179 . . . . 71.409999999999997 111.113 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.32 -0.854 . . . . 65.420000000000002 111.117 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.01 47.88 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 71.329999999999998 112.464 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -60.88 167.72 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 72.030000000000001 110.86 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.37 154.73 41.57 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-O 125.302 2.477 . . . . 65.019999999999996 110.826 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.37 138.05 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 63.549999999999997 110.866 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -123.3 27.04 7.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 73.420000000000002 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.656 HG23 ' H ' ' A' ' 13' ' ' ALA . 16.1 m -63.87 -22.87 32.0 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.737 2.208 . . . . 71.430000000000007 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.296 -0.865 . . . . 74.140000000000001 111.121 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.661 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.5 76.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 74.420000000000002 112.491 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.4 t -107.0 161.45 14.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 64.510000000000005 110.835 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -89.67 -72.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.938 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -69.49 170.21 11.01 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 125.316 2.484 . . . . 40.409999999999997 110.844 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -82.28 141.56 32.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.209999999999994 110.889 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -129.99 53.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 61.119999999999997 110.857 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG12 ' N ' ' A' ' 2' ' ' 4FO . 10.4 m -108.56 -33.59 2.54 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.342 0 CA-C-O 124.664 2.173 . . . . 73.409999999999997 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.271 -0.877 . . . . 70.230000000000004 111.088 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.484 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.52 97.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 65.019999999999996 112.499 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -118.56 173.54 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 63.109999999999999 110.852 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.48 -72.86 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 110.893 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -68.97 158.2 35.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 125.273 2.463 . . . . 55.399999999999999 110.845 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -97.82 166.76 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 74.140000000000001 110.897 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -128.26 26.3 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 13' ' ' ALA . 14.7 m -63.59 -24.47 35.92 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.345 0 CA-C-O 124.67 2.176 . . . . 65.329999999999998 111.081 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.258 -0.883 . . . . 74.340000000000003 111.129 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.643 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.89 130.42 1.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 51.439999999999998 112.488 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -161.39 156.12 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 74.430000000000007 110.865 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.68 -72.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 110.902 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -68.69 166.98 16.21 Favored 'General case' 0 C--O 1.204 -1.301 0 CA-C-O 125.302 2.477 . . . . 65.25 110.846 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -80.14 135.16 36.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 64.140000000000001 110.91 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -108.04 43.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.643 HG12 ' N ' ' A' ' 2' ' ' 4FO . 14.2 m -103.99 -24.08 4.17 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 124.756 2.217 . . . . 62.340000000000003 111.172 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.27 -0.877 . . . . 61.219999999999999 111.122 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.48 63.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 74.510000000000005 112.481 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -66.7 156.61 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 61.119999999999997 110.826 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.34 -72.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 75.340000000000003 110.904 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -76.89 66.81 2.82 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 125.349 2.499 . . . . 72.349999999999994 110.817 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -81.34 134.36 35.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 73.340000000000003 110.839 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -128.38 26.21 5.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 m -59.6 -30.97 45.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.407 0 CA-C-O 124.744 2.211 . . . . 73.019999999999996 111.139 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.257 -0.883 . . . . 75.219999999999999 111.08 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.477 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.89 -118.98 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 71.530000000000001 112.505 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m 56.72 93.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 64.109999999999999 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -87.44 -72.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 72.299999999999997 110.902 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -76.18 69.57 2.74 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-O 125.294 2.473 . . . . 53.030000000000001 110.832 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.15 135.89 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 64.310000000000002 110.905 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -140.84 26.5 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.732 HG23 ' H ' ' A' ' 13' ' ' ALA . 21.9 m -86.38 -23.02 6.98 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.37 0 CA-C-O 124.689 2.185 . . . . 74.140000000000001 111.092 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.732 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.288 -0.869 . . . . 50.43 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.405 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.76 -105.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 74.439999999999998 112.469 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m 58.32 94.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.852 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -90.96 -72.74 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -74.54 74.96 1.98 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 125.301 2.476 . . . . 71.120000000000005 110.829 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -101.84 132.96 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 70.239999999999995 110.881 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.7 -32.14 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.885 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 2' ' ' 4FO . 6.2 m -51.97 -34.19 16.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.389 0 CA-C-O 124.739 2.209 . . . . 64.099999999999994 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 62.32 111.099 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.463 ' C ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.44 113.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 64.310000000000002 112.458 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -70.67 88.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 55.149999999999999 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -89.63 -72.7 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -77.01 65.62 2.69 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 125.324 2.488 . . . . 72.5 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -96.58 134.29 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.400000000000006 110.888 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -116.21 -28.34 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 53.009999999999998 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG12 ' C ' ' A' ' 2' ' ' 4FO . 6.7 m -53.46 -31.85 19.56 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 CA-C-O 124.727 2.203 . . . . 53.210000000000001 111.136 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.294 -0.866 . . . . 64.439999999999998 111.097 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.16 117.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 64.409999999999997 112.476 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -64.49 -174.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 64.040000000000006 110.877 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.39 -72.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -64.77 -172.18 0.08 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 125.292 2.472 . . . . 65.430000000000007 110.855 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . 0.401 ' C ' ' HD1' ' A' ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -103.4 -170.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 74.010000000000005 110.888 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -114.36 -43.2 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG23 ' H ' ' A' ' 13' ' ' ALA . 31.5 m -58.15 -23.03 20.67 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 CA-C-O 124.77 2.224 . . . . 55.340000000000003 111.166 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.753 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.285 -0.87 . . . . 74.439999999999998 111.047 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.647 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.18 115.41 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 71.420000000000002 112.491 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.434 ' HB3' ' HD2' ' A' ' 7' ' ' DAB . 0.3 OUTLIER -177.76 109.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 73.439999999999998 110.877 -179.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -93.2 -72.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.492 . . . . 74.099999999999994 110.864 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -82.79 59.35 4.75 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-O 125.344 2.497 . . . . 73.25 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . 0.434 ' HD2' ' HB3' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -98.59 135.41 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 65.430000000000007 110.838 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -105.1 -25.62 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.726 HG23 ' H ' ' A' ' 13' ' ' ALA . 30.5 m -52.62 -28.29 12.54 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.381 0 CA-C-O 124.718 2.199 . . . . 52.439999999999998 111.129 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.254 -0.885 . . . . 61.200000000000003 111.116 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.494 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.57 128.37 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 64.340000000000003 112.451 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -120.98 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 72.120000000000005 110.834 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -86.69 -72.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 74.510000000000005 110.87 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -55.19 179.25 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 125.338 2.494 . . . . 71.530000000000001 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.29 138.85 42.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 60.409999999999997 110.892 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.92 -35.05 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 2' ' ' 4FO . 6.7 m -51.68 -33.86 15.61 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 CA-C-O 124.706 2.193 . . . . 74.25 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.312 -0.858 . . . . 73.439999999999998 111.064 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.07 118.77 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.210000000000001 112.483 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -71.01 -169.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 71.200000000000003 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -86.79 -72.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 71.120000000000005 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -61.62 172.59 1.18 Allowed 'General case' 0 C--O 1.204 -1.299 0 CA-C-O 125.314 2.483 . . . . 51.340000000000003 110.839 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -103.88 -170.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 64.430000000000007 110.909 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -139.42 -48.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.896 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.662 HG23 ' H ' ' A' ' 13' ' ' ALA . 6.4 m -51.95 -29.1 10.88 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.39 0 CA-C-O 124.745 2.212 . . . . 63.229999999999997 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.662 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.3 -0.863 . . . . 54.100000000000001 111.134 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.495 ' C ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.45 122.07 0.82 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 54.240000000000002 112.483 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -177.16 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 64.439999999999998 110.862 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.69 -72.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -53.94 170.95 0.11 Allowed 'General case' 0 C--O 1.205 -1.241 0 CA-C-O 125.292 2.473 . . . . 54.329999999999998 110.841 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -112.77 131.85 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 74.420000000000002 110.868 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -31.65 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 74.510000000000005 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG12 ' C ' ' A' ' 2' ' ' 4FO . 6.4 m -51.68 -33.72 15.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.389 0 CA-C-O 124.713 2.197 . . . . 75.230000000000004 111.142 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.239 -0.891 . . . . 70.430000000000007 111.12 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . 0.767 ' CO1' HG21 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.31 137.77 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 53.109999999999999 112.472 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t -61.09 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 74.530000000000001 110.854 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -88.46 -72.52 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 73.209999999999994 110.918 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -81.87 -72.3 0.44 Allowed 'General case' 0 C--O 1.205 -1.286 0 CA-C-O 125.305 2.479 . . . . 52.32 110.853 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.44 -177.3 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 71.310000000000002 110.907 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -134.69 -41.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.209999999999994 110.877 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.767 HG21 ' CO1' ' A' ' 1' ' ' 4N3 . 11.6 m -58.84 -27.39 35.0 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 124.684 2.183 . . . . 74.129999999999995 111.109 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.744 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.272 -0.876 . . . . 71.439999999999998 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.88 136.49 3.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 23.32 112.474 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t -134.47 -175.4 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 110.819 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -88.32 -72.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 74.319999999999993 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -54.95 158.68 2.67 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-O 125.277 2.465 . . . . 74.400000000000006 110.832 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.47 131.85 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 74.439999999999998 110.901 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -117.23 -28.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.904 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 13' ' ' ALA . 6.4 m -53.49 -27.82 14.97 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 CA-C-O 124.709 2.195 . . . . 75.129999999999995 111.115 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 64.519999999999996 111.077 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.07 134.26 1.66 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 71.549999999999997 112.512 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -60.58 -170.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 65.299999999999997 110.851 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -87.47 -72.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 64.400000000000006 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p -80.82 -72.41 0.42 Allowed 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 125.348 2.499 . . . . 30.329999999999998 110.878 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -112.74 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 75.310000000000002 110.919 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -127.09 -38.38 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 60.43 110.896 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG23 ' H ' ' A' ' 13' ' ' ALA . 21.1 m -59.42 -27.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 CA-C-O 124.68 2.181 . . . . 74.450000000000003 111.102 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.22 -0.9 . . . . 73.310000000000002 111.079 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.682 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.49 119.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 33.549999999999997 112.476 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.66 146.66 34.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 74.230000000000004 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.14 -72.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.329999999999998 110.904 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -56.04 -174.82 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 125.261 2.458 . . . . 63.509999999999998 110.865 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -118.53 146.01 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 64.109999999999999 110.929 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -115.69 -23.45 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.430000000000007 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG23 ' H ' ' A' ' 13' ' ' ALA . 31.1 m -51.56 -29.44 9.87 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.348 0 CA-C-O 124.675 2.178 . . . . 72.329999999999998 111.124 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.214 -0.903 . . . . 44.229999999999997 111.12 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.621 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.79 -114.33 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 55.119999999999997 112.499 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.1 m 58.01 95.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.010000000000005 110.841 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -87.14 -72.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 65.519999999999996 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -82.16 60.18 4.8 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-O 125.299 2.476 . . . . 75.450000000000003 110.861 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -104.94 135.1 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 61.049999999999997 110.865 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -115.87 -24.07 8.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 63.520000000000003 110.832 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 2' ' ' 4FO . 6.3 m -51.5 -29.77 10.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.372 0 CA-C-O 124.702 2.192 . . . . 60.119999999999997 111.097 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.275 -0.875 . . . . 73.150000000000006 111.112 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' 4N3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' 4FO . . . . . 0.645 ' N ' HG12 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.71 54.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 71.239999999999995 112.448 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -83.07 164.34 20.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.858 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -89.53 -72.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 62.5 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -69.13 157.5 36.74 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 125.279 2.466 . . . . 74.040000000000006 110.866 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' 4FO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -90.18 146.1 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 74.230000000000004 110.904 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -116.03 27.28 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.645 HG12 ' N ' ' A' ' 2' ' ' 4FO . 15.4 m -66.81 -25.02 33.61 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 CA-C-O 124.736 2.208 . . . . 73.219999999999999 111.167 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' 28J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.59 ' H ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.29 -0.868 . . . . 53.240000000000002 111.128 179.999 . . . . . . . . 1 1 . 1 stop_ save_