data_2n09_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 2n09 _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 full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.05 -30.6 62.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.48 -25.89 26.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.426 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.83 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 111.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -53.09 -45.52 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.37 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -90.26 -35.71 15.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.28 18.52 5.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.677 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -49.08 173.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.3 t80 62.79 55.54 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.476 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.8 t60 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.971 0.415 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.654 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.98 -30.91 66.4 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.807 0.337 . . . . 0.0 110.996 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.46 -38.71 96.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.391 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 111.394 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -57.06 -37.15 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -55.82 -41.14 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -86.39 -28.03 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -58.13 -32.64 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 63.05 30.63 16.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.69 -71.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -53.93 -29.55 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -42.95 83.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.278 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t 44.55 -170.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.967 0.413 . . . . 0.0 111.928 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 10' ' ' PHE . 23.5 t80 -54.23 -40.8 68.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.224 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.46 -54.18 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.5 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -81.35 -41.84 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.65 -60.13 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.13 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 2.4 m-85 -108.86 -174.96 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 66.98 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.552 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.772 0.32 . . . . 0.0 111.229 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 1' ' ' HIS . 8.7 tt0 -63.62 -29.34 70.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.78 -19.56 58.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.713 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.12 170.8 0.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.818 0.342 . . . . 0.0 111.077 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -60.8 -56.24 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -75.27 -31.97 60.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.25 154.51 19.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.77 127.95 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.884 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -54.99 -27.05 41.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.39 90.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.398 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.81 -178.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.319 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -63.45 -27.2 69.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -55.89 -61.2 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.243 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.8 p -80.65 -38.67 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.36 -25.07 66.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.0 t80 63.67 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.93 -46.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 p80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.21 -28.93 44.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.8 -27.73 73.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 p 55.75 -173.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.217 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -56.38 -34.2 66.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -59.26 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -29.6 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.99 -27.22 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 63.47 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -149.04 172.42 14.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.959 0.409 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.652 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.61 -24.75 66.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.9 -26.14 47.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.568 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 p 54.96 -169.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.327 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.49 -33.54 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.268 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.5 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.362 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.44 -29.58 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 65.99 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -170.46 171.95 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.519 -0.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.904 0.383 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -29.29 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.34 -56.49 21.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.501 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 46.08 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.65 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -59.6 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 10' ' ' PHE . 5.1 t -55.36 -35.72 65.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -79.97 -36.99 35.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.87 -21.99 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.943 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 3.6 m-85 -46.52 126.19 7.91 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.57 179.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -29.1 69.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.05 -25.75 72.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.543 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 p 55.62 176.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -55.08 -36.4 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.9 m -57.71 -60.59 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.342 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -74.04 -28.49 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.55 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 7' ' ' THR . 2.4 m-85 62.08 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.38 164.81 12.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.925 0.393 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.681 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -51.15 -26.19 6.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.38 -51.08 60.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.44 -172.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -67.86 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -57.16 -42.79 81.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -80.12 -28.62 38.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -72.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.6 t80 66.2 -71.44 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -58.04 -41.05 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.05 -30.6 62.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.48 -25.89 26.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.426 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.523 ' HB ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 51.83 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 111.257 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' H ' HG22 ' A' ' 5' ' ' THR . 65.2 t80 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.523 HG22 ' HB ' ' A' ' 5' ' ' THR . 5.6 t -53.09 -45.52 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.37 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 7' ' ' THR . 1.8 m -90.26 -35.71 15.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.28 18.52 5.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.677 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -49.08 173.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.3 t80 62.79 55.54 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.476 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.8 t60 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.971 0.415 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.654 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.98 -30.91 66.4 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.807 0.337 . . . . 0.0 110.996 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.46 -38.71 96.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.391 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER 47.98 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 111.394 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' H ' HG22 ' A' ' 5' ' ' THR . 10.7 t80 -57.06 -37.15 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -55.82 -41.14 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -86.39 -28.03 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -58.13 -32.64 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 63.05 30.63 16.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.69 -71.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -53.93 -29.55 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 5' ' ' THR . . . -68.01 -42.95 83.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.278 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.5 t 44.55 -170.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.967 0.413 . . . . 0.0 111.928 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 10' ' ' PHE . 23.5 t80 -54.23 -40.8 68.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.224 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.424 ' H ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -51.46 -54.18 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.5 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -81.35 -41.84 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.65 -60.13 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.13 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 2.4 m-85 -108.86 -174.96 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 66.98 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.552 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.772 0.32 . . . . 0.0 111.229 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 1' ' ' HIS . 8.7 tt0 -63.62 -29.34 70.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.78 -19.56 58.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.713 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.12 170.8 0.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.818 0.342 . . . . 0.0 111.077 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -60.8 -56.24 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -75.27 -31.97 60.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.25 154.51 19.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.77 127.95 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.884 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -54.99 -27.05 41.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.39 90.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.398 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER 52.81 -178.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' H ' HG22 ' A' ' 5' ' ' THR . 57.7 t80 -63.45 -27.2 69.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -55.89 -61.2 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.243 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.8 p -80.65 -38.67 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.36 -25.07 66.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.0 t80 63.67 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.93 -46.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 p80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.21 -28.93 44.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.8 -27.73 73.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 p 55.75 -173.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.217 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -56.38 -34.2 66.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -59.26 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -29.6 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.99 -27.22 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 63.47 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -149.04 172.42 14.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.959 0.409 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.652 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 5' ' ' THR . 3.2 pt-20 -66.61 -24.75 66.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 8' ' ' SER . . . -55.9 -26.14 47.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.568 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 3' ' ' GLU . 12.9 p 54.96 -169.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.49 -33.54 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.268 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.5 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.362 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' HB3' ' HA3' ' A' ' 4' ' ' GLY . 10.1 t -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.44 -29.58 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 65.99 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -170.46 171.95 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.519 -0.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.904 0.383 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -29.29 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.34 -56.49 21.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.501 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER 46.08 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.65 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.419 ' H ' HG22 ' A' ' 5' ' ' THR . 5.6 t80 -59.6 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.431 ' HA ' ' CD2' ' A' ' 10' ' ' PHE . 5.1 t -55.36 -35.72 65.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -79.97 -36.99 35.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.87 -21.99 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.943 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 3.6 m-85 -46.52 126.19 7.91 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.57 179.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 5' ' ' THR . 1.0 OUTLIER -65.67 -29.1 69.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.824 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.05 -25.75 72.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.543 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 3' ' ' GLU . 12.2 p 55.62 176.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -55.08 -36.4 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.9 m -57.71 -60.59 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.342 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -74.04 -28.49 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.55 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 7' ' ' THR . 2.4 m-85 62.08 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.38 164.81 12.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.925 0.393 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.681 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -51.15 -26.19 6.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.38 -51.08 60.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.44 -172.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -67.86 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 8' ' ' SER . 5.2 t -57.16 -42.79 81.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 7' ' ' THR . 23.1 t -80.12 -28.62 38.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -72.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.6 t80 66.2 -71.44 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -58.04 -41.05 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.05 -30.6 62.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.48 -25.89 26.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.426 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.523 ' HB ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 51.83 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 111.257 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' H ' HG22 ' A' ' 5' ' ' THR . 65.2 t80 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.523 HG22 ' HB ' ' A' ' 5' ' ' THR . 5.6 t -53.09 -45.52 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.37 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 7' ' ' THR . 1.8 m -90.26 -35.71 15.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.28 18.52 5.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.677 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -49.08 173.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.3 t80 62.79 55.54 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.476 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.8 t60 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.971 0.415 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.654 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.98 -30.91 66.4 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.807 0.337 . . . . 0.0 110.996 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.46 -38.71 96.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.391 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER 47.98 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 111.394 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' H ' HG22 ' A' ' 5' ' ' THR . 10.7 t80 -57.06 -37.15 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -55.82 -41.14 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.329 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -86.39 -28.03 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -58.13 -32.64 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 63.05 30.63 16.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.69 -71.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -53.93 -29.55 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 5' ' ' THR . . . -68.01 -42.95 83.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.278 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.5 t 44.55 -170.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.967 0.413 . . . . 0.0 111.928 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 10' ' ' PHE . 23.5 t80 -54.23 -40.8 68.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.224 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.424 ' H ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -51.46 -54.18 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.5 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -81.35 -41.84 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.65 -60.13 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.13 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 2.4 m-85 -108.86 -174.96 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 66.98 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.552 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.772 0.32 . . . . 0.0 111.229 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 1' ' ' HIS . 8.7 tt0 -63.62 -29.34 70.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.78 -19.56 58.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.713 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.12 170.8 0.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.818 0.342 . . . . 0.0 111.077 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -60.8 -56.24 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -75.27 -31.97 60.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.25 154.51 19.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.77 127.95 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.884 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -54.99 -27.05 41.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.13 -43.39 90.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.398 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER 52.81 -178.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' H ' HG22 ' A' ' 5' ' ' THR . 57.7 t80 -63.45 -27.2 69.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -55.89 -61.2 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.243 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.8 p -80.65 -38.67 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.36 -25.07 66.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.0 t80 63.67 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.93 -46.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 p80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.21 -28.93 44.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.8 -27.73 73.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 p 55.75 -173.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 111.217 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -56.38 -34.2 66.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -59.26 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -29.6 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.99 -27.22 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 63.47 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -149.04 172.42 14.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.959 0.409 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.652 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 5' ' ' THR . 3.2 pt-20 -66.61 -24.75 66.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 8' ' ' SER . . . -55.9 -26.14 47.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.568 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 3' ' ' GLU . 12.9 p 54.96 -169.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.49 -33.54 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.268 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.5 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.362 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' HB3' ' HA3' ' A' ' 4' ' ' GLY . 10.1 t -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.44 -29.58 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 65.99 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -170.46 171.95 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.519 -0.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.904 0.383 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -29.29 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.34 -56.49 21.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.501 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER 46.08 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.65 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.419 ' H ' HG22 ' A' ' 5' ' ' THR . 5.6 t80 -59.6 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.78 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.431 ' HA ' ' CD2' ' A' ' 10' ' ' PHE . 5.1 t -55.36 -35.72 65.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -79.97 -36.99 35.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.87 -21.99 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.943 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 3.6 m-85 -46.52 126.19 7.91 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.57 179.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 5' ' ' THR . 1.0 OUTLIER -65.67 -29.1 69.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.824 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.05 -25.75 72.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.543 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 3' ' ' GLU . 12.2 p 55.62 176.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -55.08 -36.4 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.9 m -57.71 -60.59 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.342 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -74.04 -28.49 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.55 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 7' ' ' THR . 2.4 m-85 62.08 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.38 164.81 12.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.925 0.393 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.681 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -51.15 -26.19 6.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.38 -51.08 60.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.44 -172.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -67.86 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 8' ' ' SER . 5.2 t -57.16 -42.79 81.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 7' ' ' THR . 23.1 t -80.12 -28.62 38.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -72.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.6 t80 66.2 -71.44 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -58.04 -41.05 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_