data_2n08_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 2n08 _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 . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . 46.8 16.93 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.591 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 5.5 tp10 72.28 -16.11 0.44 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.16 -41.87 85.43 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.3 p -60.18 -43.29 95.96 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.436 0.16 . . . . 0.0 111.252 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -59.11 -42.17 89.91 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.415 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.6 m -59.87 -46.57 88.89 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -61.31 -43.86 98.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -64.32 -45.95 85.66 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.64 -47.76 81.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.333 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.43 -53.98 24.31 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.159 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.813 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.91 0.386 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.83 -145.12 0.55 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.338 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -107.89 37.29 2.49 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.719 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.04 -49.44 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.281 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.7 m -69.37 -41.99 75.78 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 0.0 110.536 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.24 -41.45 93.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.527 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.7 m -59.79 -48.16 82.78 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -63.8 -41.22 97.95 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.88 -48.53 71.21 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.504 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -67.91 -47.5 68.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.847 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.83 -60.14 2.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.8 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' N ' ' HB ' ' A' ' 5' ' ' THR . 91.7 m-70 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.296 0.569 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.62 157.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.052 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.0 -20.73 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.331 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -55.82 12.75 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.031 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' N ' ' A' ' 1' ' ' HIS . 88.2 m -71.66 -38.48 70.66 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.536 0.168 . . . . 0.0 111.208 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.03 -43.9 70.55 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.696 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.2 m -66.69 -47.46 72.36 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -60.01 -41.07 91.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.54 -49.27 64.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.62 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.41 -47.74 66.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.69 -61.16 1.87 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.778 -0.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.492 ' O ' ' OG1' ' A' ' 5' ' ' THR . 41.5 m80 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.37 91.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.556 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.66 -50.44 73.83 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.733 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.12 62.83 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.148 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 1' ' ' HIS . 85.9 m -56.29 -44.29 79.68 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 122.166 0.187 . . . . 0.0 111.188 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -44.81 72.19 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.177 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.8 m -56.45 -47.12 79.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 m -65.93 -37.92 87.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -56.77 -38.85 73.05 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.057 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -55.04 -45.86 75.26 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.03 -60.48 2.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 O-C-N 122.323 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.237 0.541 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.96 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.961 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -49.23 -49.39 43.32 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.623 0.249 . . . . 0.0 111.58 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.78 -41.8 33.18 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.631 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -58.22 -42.9 87.26 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.73 -40.41 72.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.629 0.252 . . . . 0.0 110.698 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 m -61.04 -48.41 81.88 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.572 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -64.89 -39.57 93.75 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.777 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.11 -38.17 70.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.696 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -46.71 62.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.798 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -76.67 -52.64 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.778 0.323 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.684 -0.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.2 m80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.446 0.165 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.84 80.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.64 -37.05 25.46 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.293 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.12 93.73 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.537 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -62.37 -48.05 81.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.773 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -63.03 -35.62 80.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.6 m -63.67 -51.79 63.57 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.036 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -65.46 -43.45 90.32 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.979 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.98 -44.88 83.59 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.63 -49.35 68.99 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.32 -67.19 0.81 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.682 0.277 . . . . 0.0 111.572 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 O-C-N 122.397 -0.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.886 0.374 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.04 -141.73 0.84 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -115.99 34.88 4.73 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.98 -47.43 0.31 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.369 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.4 m -64.62 -46.3 83.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.528 0.204 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -40.64 93.13 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 94.0 m -56.48 -49.8 73.61 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 t -66.66 -31.8 72.71 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.196 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -56.76 -55.04 39.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 12.4 p90 -83.87 -42.27 16.56 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 m-30 -83.43 -58.12 2.96 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.734 0.302 . . . . 0.0 111.45 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 122.411 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.467 ' HD2' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.132 0.491 . . . . 0.0 111.959 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.7 -49.88 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.426 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -45.33 87.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' HA3' ' HD2' ' A' ' 1' ' ' HIS . . . -59.53 -43.63 97.42 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.564 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -55.18 -48.1 74.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.713 0.257 . . . . 0.0 110.899 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -54.4 -41.64 69.51 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.129 0.268 . . . . 0.0 111.097 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.683 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 61.1 m -55.52 -44.52 76.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -63.34 -35.32 79.98 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.276 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -56.37 22.8 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.683 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 15.0 p90 -79.68 32.23 0.25 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.941 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -133.47 -60.29 0.84 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.817 -0.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 120.488 0.185 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.01 28.51 12.88 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.84 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 52.57 29.49 7.27 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.953 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.55 -41.7 0.34 Allowed Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.706 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m -52.0 -46.19 64.82 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.67 -42.42 71.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.039 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -58.32 -53.68 55.59 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.269 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.1 t -67.83 -41.24 83.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -47.95 -42.99 28.85 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.728 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -48.38 -49.96 32.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.611 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -87.85 -65.24 1.04 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 111.287 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 O-C-N 122.347 -0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.432 ' HB2' HG21 ' A' ' 5' ' ' THR . 92.5 m-70 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.049 0.452 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.19 -142.69 0.12 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.86 11.95 35.02 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.09 -51.1 3.66 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 HG21 ' HB2' ' A' ' 1' ' ' HIS . 72.1 p -61.03 -42.47 98.54 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 115.918 -0.141 . . . . 0.0 111.263 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -47.53 -42.18 22.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.74 0.305 . . . . 0.0 111.083 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.7 m -71.23 -43.56 67.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.673 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.9 p -57.56 -46.69 83.62 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.34 -37.31 60.76 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.235 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -55.95 -48.4 75.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.464 0.174 . . . . 0.0 110.957 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -86.32 -55.97 3.66 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.267 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.801 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.67 0.272 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.44 98.86 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.07 -39.5 90.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.98 -43.24 66.08 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.495 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -64.23 -46.47 83.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 110.969 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.54 -41.8 81.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.796 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.0 m -57.78 -44.4 86.21 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.903 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 t -62.51 -42.71 99.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.338 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -68.3 -46.45 70.26 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.66 -49.23 66.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.804 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.51 -59.42 2.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.122 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.814 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.5 ' HB2' ' HA3' ' A' ' 4' ' ' GLY . 89.2 m-70 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.599 0.238 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.33 65.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.824 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -100.14 26.21 6.71 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.537 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 1' ' ' HIS . . . -120.76 -39.27 0.61 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.593 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.9 m -57.26 -45.7 83.74 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.623 0.212 . . . . 0.0 111.228 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 79.7 t80 -60.9 -42.65 98.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.509 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 88.6 m -57.97 -45.58 86.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.158 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 p -80.93 -49.83 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 74.1 m-85 -87.09 53.07 2.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.735 0.302 . . . . 0.0 111.307 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -177.64 -59.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.517 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.4 m170 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 120.532 0.206 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.75 -48.51 66.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.792 0.33 . . . . 0.0 111.243 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.16 -40.93 21.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -42.98 98.16 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.306 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -59.87 -36.7 77.45 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.018 0.409 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.11 -41.21 74.88 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.827 0.346 . . . . 0.0 110.398 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.5 m -68.18 -38.81 82.41 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.982 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 t -59.37 -51.82 68.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.664 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.67 -33.21 75.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.4 0.143 . . . . 0.0 111.055 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.14 -43.22 82.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.093 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -72.55 -50.4 25.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 122.423 -0.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.624 0.25 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.0 94.82 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.62 -41.25 84.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.62 -50.8 62.54 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.866 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -64.63 -40.18 95.02 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.6 0.2 . . . . 0.0 111.22 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.99 -41.75 92.72 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.4 m -60.6 -45.81 92.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -62.31 -47.9 82.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.62 -54.07 27.31 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -71.24 49.43 0.14 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.043 0.449 . . . . 0.0 110.566 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -168.97 -75.24 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.503 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.774 0.321 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.15 86.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.849 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -56.11 -42.05 76.2 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.72 -48.91 8.33 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.97 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -63.44 -42.53 98.66 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.73 -42.01 74.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.292 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 83.3 m -66.62 -38.87 87.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.103 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -56.32 -51.23 69.0 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.697 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -66.5 -33.77 76.42 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.09 -46.54 68.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.43 -54.65 4.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 122.428 -0.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.516 ' CD2' ' HA3' ' A' ' 4' ' ' GLY . 21.2 p-80 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.343 0.592 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . -70.07 138.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.154 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 16.6 tp10 73.96 -54.29 0.68 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.146 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 1' ' ' HIS . . . -61.25 -46.71 93.9 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.677 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.0 m -72.35 -41.29 66.6 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.541 0.21 . . . . 0.0 110.83 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -54.34 -42.12 69.86 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.52 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.2 m -68.15 -43.47 78.19 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -58.18 -44.26 87.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.963 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.34 -48.69 60.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -73.36 -55.26 6.63 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.19 -51.55 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.833 -0.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.614 0.245 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.26 -127.74 2.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.351 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.41 -40.93 47.32 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.447 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.8 m -55.84 -46.89 78.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.639 0.257 . . . . 0.0 110.74 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 63.2 m -52.09 -51.97 54.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.917 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -71.12 -33.07 69.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.089 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -52.79 -54.71 30.28 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 6.5 p90 -74.8 -32.31 61.97 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.47 -54.63 37.24 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.105 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.797 -0.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.1 m170 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.748 0.309 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.4 -131.98 2.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.436 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.09 -34.97 77.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.568 0.223 . . . . 0.0 111.069 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.4 -43.43 65.93 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.541 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 t -59.2 -38.9 81.0 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 117.083 0.441 . . . . 0.0 111.625 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.11 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.57 0.224 . . . . 0.0 110.781 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 m -60.73 -48.1 83.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.151 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.5 t -66.18 -44.05 85.09 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -63.01 -47.22 84.05 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.11 -45.66 87.64 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.69 -77.81 0.06 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.3 -136.45 1.35 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.253 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.31 -37.11 82.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.79 0.328 . . . . 0.0 110.856 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.49 -24.16 51.46 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.697 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.8 m -48.14 -58.94 3.81 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 117.351 0.576 . . . . 0.0 111.931 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.62 -36.77 84.68 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.546 0.212 . . . . 0.0 110.588 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.2 m -53.45 -49.82 66.58 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.997 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -65.04 -42.92 93.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.851 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -61.21 -44.29 97.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.398 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -64.72 -41.8 95.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.208 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.14 -55.77 16.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.35 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 122.35 -0.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.867 0.365 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.58 138.9 56.8 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.173 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 66.0 11.61 7.86 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.951 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.91 -47.58 0.28 Allowed Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 p -72.86 -42.61 63.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 110.877 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.09 -41.33 98.07 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.351 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -59.65 -48.38 81.91 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.05 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -63.74 -41.12 98.08 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.285 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.99 -48.72 70.29 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.537 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.56 -47.5 66.66 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.894 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -69.4 -61.24 1.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 111.162 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.828 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 38.6 m80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . 46.8 16.93 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.591 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 5.5 tp10 72.28 -16.11 0.44 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.16 -41.87 85.43 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 1' ' ' HIS . 67.3 p -60.18 -43.29 95.96 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.436 0.16 . . . . 0.0 111.252 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -59.11 -42.17 89.91 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.415 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.6 m -59.87 -46.57 88.89 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -61.31 -43.86 98.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -64.32 -45.95 85.66 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.64 -47.76 81.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.333 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.43 -53.98 24.31 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.159 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.813 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.91 0.386 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.83 -145.12 0.55 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.338 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -107.89 37.29 2.49 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.719 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.04 -49.44 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.281 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.7 m -69.37 -41.99 75.78 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 0.0 110.536 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.24 -41.45 93.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.527 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.7 m -59.79 -48.16 82.78 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -63.8 -41.22 97.95 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.88 -48.53 71.21 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.504 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -67.91 -47.5 68.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.847 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.83 -60.14 2.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.8 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' N ' ' HB ' ' A' ' 5' ' ' THR . 91.7 m-70 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.296 0.569 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.62 157.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.052 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.0 -20.73 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.331 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -55.82 12.75 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.031 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' N ' ' A' ' 1' ' ' HIS . 88.2 m -71.66 -38.48 70.66 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.536 0.168 . . . . 0.0 111.208 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.03 -43.9 70.55 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.696 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.2 m -66.69 -47.46 72.36 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -60.01 -41.07 91.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.54 -49.27 64.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.62 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.41 -47.74 66.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.69 -61.16 1.87 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.778 -0.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 5' ' ' THR . 41.5 m80 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.37 91.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.556 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.66 -50.44 73.83 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.733 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.12 62.83 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.148 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 1' ' ' HIS . 85.9 m -56.29 -44.29 79.68 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 122.166 0.187 . . . . 0.0 111.188 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -44.81 72.19 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.177 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.8 m -56.45 -47.12 79.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 m -65.93 -37.92 87.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -56.77 -38.85 73.05 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.057 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -55.04 -45.86 75.26 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.03 -60.48 2.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 O-C-N 122.323 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.237 0.541 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.96 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.961 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -49.23 -49.39 43.32 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.623 0.249 . . . . 0.0 111.58 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.78 -41.8 33.18 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.631 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -58.22 -42.9 87.26 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.73 -40.41 72.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.629 0.252 . . . . 0.0 110.698 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 m -61.04 -48.41 81.88 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.572 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -64.89 -39.57 93.75 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.777 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.11 -38.17 70.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.696 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -46.71 62.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.798 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -76.67 -52.64 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.778 0.323 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.684 -0.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.54 ' O ' HG23 ' A' ' 5' ' ' THR . 28.2 m80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.446 0.165 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.84 80.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.64 -37.05 25.46 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.293 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.12 93.73 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.537 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 1' ' ' HIS . 21.8 p -62.37 -48.05 81.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.773 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -63.03 -35.62 80.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.6 m -63.67 -51.79 63.57 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.036 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -65.46 -43.45 90.32 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.979 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.98 -44.88 83.59 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.63 -49.35 68.99 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.32 -67.19 0.81 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.682 0.277 . . . . 0.0 111.572 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 O-C-N 122.397 -0.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.886 0.374 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.04 -141.73 0.84 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -115.99 34.88 4.73 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.98 -47.43 0.31 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.369 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.4 m -64.62 -46.3 83.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.528 0.204 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -40.64 93.13 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 94.0 m -56.48 -49.8 73.61 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 t -66.66 -31.8 72.71 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.196 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -56.76 -55.04 39.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 12.4 p90 -83.87 -42.27 16.56 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 m-30 -83.43 -58.12 2.96 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.734 0.302 . . . . 0.0 111.45 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 122.411 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.132 0.491 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.7 -49.88 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.426 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -45.33 87.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.53 -43.63 97.42 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.564 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -55.18 -48.1 74.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.713 0.257 . . . . 0.0 110.899 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -54.4 -41.64 69.51 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.129 0.268 . . . . 0.0 111.097 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 61.1 m -55.52 -44.52 76.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -63.34 -35.32 79.98 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.276 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -56.37 22.8 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 15.0 p90 -79.68 32.23 0.25 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.941 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -133.47 -60.29 0.84 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.817 -0.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 120.488 0.185 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.01 28.51 12.88 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.84 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 52.57 29.49 7.27 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.953 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.55 -41.7 0.34 Allowed Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.706 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m -52.0 -46.19 64.82 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.67 -42.42 71.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.039 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -58.32 -53.68 55.59 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.269 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.1 t -67.83 -41.24 83.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -47.95 -42.99 28.85 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.728 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -48.38 -49.96 32.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.611 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -87.85 -65.24 1.04 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 111.287 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 O-C-N 122.347 -0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.456 ' HB2' HG23 ' A' ' 5' ' ' THR . 92.5 m-70 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.049 0.452 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.19 -142.69 0.12 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.86 11.95 35.02 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.09 -51.1 3.66 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 1' ' ' HIS . 72.1 p -61.03 -42.47 98.54 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 115.918 -0.141 . . . . 0.0 111.263 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -47.53 -42.18 22.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.74 0.305 . . . . 0.0 111.083 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.7 m -71.23 -43.56 67.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.673 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.9 p -57.56 -46.69 83.62 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.34 -37.31 60.76 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.235 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -55.95 -48.4 75.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.464 0.174 . . . . 0.0 110.957 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -86.32 -55.97 3.66 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.267 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.801 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.67 0.272 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.44 98.86 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.07 -39.5 90.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.98 -43.24 66.08 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.495 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -64.23 -46.47 83.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 110.969 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.54 -41.8 81.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.796 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.0 m -57.78 -44.4 86.21 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.903 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 t -62.51 -42.71 99.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.338 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -68.3 -46.45 70.26 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.66 -49.23 66.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.804 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.51 -59.42 2.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.122 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.814 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.506 ' HB2' ' HA3' ' A' ' 4' ' ' GLY . 89.2 m-70 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.599 0.238 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.33 65.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.824 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -100.14 26.21 6.71 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.537 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 1' ' ' HIS . . . -120.76 -39.27 0.61 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.593 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.9 m -57.26 -45.7 83.74 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.623 0.212 . . . . 0.0 111.228 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 79.7 t80 -60.9 -42.65 98.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.509 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 88.6 m -57.97 -45.58 86.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.158 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 p -80.93 -49.83 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 74.1 m-85 -87.09 53.07 2.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.735 0.302 . . . . 0.0 111.307 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -177.64 -59.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.517 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 120.532 0.206 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.75 -48.51 66.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.792 0.33 . . . . 0.0 111.243 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.16 -40.93 21.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -42.98 98.16 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.306 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -59.87 -36.7 77.45 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.018 0.409 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.11 -41.21 74.88 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.827 0.346 . . . . 0.0 110.398 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.5 m -68.18 -38.81 82.41 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.982 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 t -59.37 -51.82 68.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.664 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.67 -33.21 75.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.4 0.143 . . . . 0.0 111.055 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.14 -43.22 82.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.093 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -72.55 -50.4 25.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 122.423 -0.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.624 0.25 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.0 94.82 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.62 -41.25 84.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.62 -50.8 62.54 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.866 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -64.63 -40.18 95.02 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.6 0.2 . . . . 0.0 111.22 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.99 -41.75 92.72 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.4 m -60.6 -45.81 92.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -62.31 -47.9 82.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.62 -54.07 27.31 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -71.24 49.43 0.14 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.043 0.449 . . . . 0.0 110.566 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -168.97 -75.24 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.503 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.774 0.321 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.15 86.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.849 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -56.11 -42.05 76.2 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.72 -48.91 8.33 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.97 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -63.44 -42.53 98.66 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.73 -42.01 74.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.292 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 83.3 m -66.62 -38.87 87.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.103 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -56.32 -51.23 69.0 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.697 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -66.5 -33.77 76.42 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.09 -46.54 68.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.43 -54.65 4.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 122.428 -0.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.514 ' CD2' ' HA3' ' A' ' 4' ' ' GLY . 21.2 p-80 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.343 0.592 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . -70.07 138.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.154 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 16.6 tp10 73.96 -54.29 0.68 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.146 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' HA3' ' CD2' ' A' ' 1' ' ' HIS . . . -61.25 -46.71 93.9 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.677 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.0 m -72.35 -41.29 66.6 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.541 0.21 . . . . 0.0 110.83 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -54.34 -42.12 69.86 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.52 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.2 m -68.15 -43.47 78.19 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -58.18 -44.26 87.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.963 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.34 -48.69 60.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -73.36 -55.26 6.63 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.19 -51.55 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.833 -0.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.614 0.245 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.26 -127.74 2.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.351 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.41 -40.93 47.32 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.447 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.8 m -55.84 -46.89 78.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.639 0.257 . . . . 0.0 110.74 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 63.2 m -52.09 -51.97 54.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.917 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -71.12 -33.07 69.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.089 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -52.79 -54.71 30.28 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 6.5 p90 -74.8 -32.31 61.97 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.47 -54.63 37.24 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.105 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.797 -0.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.748 0.309 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.751 ' O ' HG22 ' A' ' 5' ' ' THR . . . 53.4 -131.98 2.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.436 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.09 -34.97 77.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.568 0.223 . . . . 0.0 111.069 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.4 -43.43 65.93 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.541 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 2' ' ' ALA . 11.8 t -59.2 -38.9 81.0 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 117.083 0.441 . . . . 0.0 111.625 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.11 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.57 0.224 . . . . 0.0 110.781 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 m -60.73 -48.1 83.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.151 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.5 t -66.18 -44.05 85.09 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -63.01 -47.22 84.05 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.11 -45.66 87.64 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.69 -77.81 0.06 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.3 -136.45 1.35 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.253 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.31 -37.11 82.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.79 0.328 . . . . 0.0 110.856 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.49 -24.16 51.46 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.697 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.8 m -48.14 -58.94 3.81 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 117.351 0.576 . . . . 0.0 111.931 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.62 -36.77 84.68 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.546 0.212 . . . . 0.0 110.588 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.2 m -53.45 -49.82 66.58 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.997 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -65.04 -42.92 93.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.851 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -61.21 -44.29 97.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.398 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -64.72 -41.8 95.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.208 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.14 -55.77 16.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.35 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 122.35 -0.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.867 0.365 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.58 138.9 56.8 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.173 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 66.0 11.61 7.86 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.951 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.91 -47.58 0.28 Allowed Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 p -72.86 -42.61 63.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 110.877 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.09 -41.33 98.07 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.351 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -59.65 -48.38 81.91 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.05 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -63.74 -41.12 98.08 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.285 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.99 -48.72 70.29 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.537 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.56 -47.5 66.66 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.894 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -69.4 -61.24 1.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 111.162 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.828 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 38.6 m80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . 46.8 16.93 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.591 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 5.5 tp10 72.28 -16.11 0.44 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.16 -41.87 85.43 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 1' ' ' HIS . 67.3 p -60.18 -43.29 95.96 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.436 0.16 . . . . 0.0 111.252 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -59.11 -42.17 89.91 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.415 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.6 m -59.87 -46.57 88.89 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -61.31 -43.86 98.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -64.32 -45.95 85.66 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.64 -47.76 81.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.333 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.43 -53.98 24.31 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.159 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.813 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.91 0.386 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.83 -145.12 0.55 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.338 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -107.89 37.29 2.49 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.719 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.04 -49.44 0.3 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.281 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.7 m -69.37 -41.99 75.78 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 0.0 110.536 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.24 -41.45 93.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.527 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.7 m -59.79 -48.16 82.78 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.9 t -63.8 -41.22 97.95 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.88 -48.53 71.21 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.504 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -67.91 -47.5 68.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.847 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.83 -60.14 2.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.8 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' N ' ' HB ' ' A' ' 5' ' ' THR . 91.7 m-70 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.296 0.569 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.62 157.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.052 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.0 -20.73 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.331 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -55.82 12.75 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.031 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' N ' ' A' ' 1' ' ' HIS . 88.2 m -71.66 -38.48 70.66 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.536 0.168 . . . . 0.0 111.208 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.03 -43.9 70.55 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.696 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.2 m -66.69 -47.46 72.36 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -60.01 -41.07 91.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.54 -49.27 64.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.62 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.41 -47.74 66.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.69 -61.16 1.87 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.778 -0.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 5' ' ' THR . 41.5 m80 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.37 91.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.556 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.66 -50.44 73.83 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.733 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.12 62.83 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.148 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 1' ' ' HIS . 85.9 m -56.29 -44.29 79.68 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 122.166 0.187 . . . . 0.0 111.188 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -44.81 72.19 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.177 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.8 m -56.45 -47.12 79.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 m -65.93 -37.92 87.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -56.77 -38.85 73.05 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.057 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -55.04 -45.86 75.26 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.03 -60.48 2.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 O-C-N 122.323 -0.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.237 0.541 . . . . 0.0 112.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.96 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.961 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -49.23 -49.39 43.32 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.623 0.249 . . . . 0.0 111.58 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.78 -41.8 33.18 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.631 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -58.22 -42.9 87.26 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.73 -40.41 72.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.629 0.252 . . . . 0.0 110.698 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 m -61.04 -48.41 81.88 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.572 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -64.89 -39.57 93.75 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.777 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.11 -38.17 70.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.696 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -46.71 62.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.798 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -76.67 -52.64 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.778 0.323 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.684 -0.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.54 ' O ' HG23 ' A' ' 5' ' ' THR . 28.2 m80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.446 0.165 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.84 80.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.64 -37.05 25.46 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.293 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.12 93.73 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.537 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 1' ' ' HIS . 21.8 p -62.37 -48.05 81.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.773 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -63.03 -35.62 80.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.6 m -63.67 -51.79 63.57 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.036 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.9 t -65.46 -43.45 90.32 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.979 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.98 -44.88 83.59 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.63 -49.35 68.99 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.32 -67.19 0.81 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.682 0.277 . . . . 0.0 111.572 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 O-C-N 122.397 -0.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.886 0.374 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.04 -141.73 0.84 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -115.99 34.88 4.73 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.98 -47.43 0.31 Allowed Glycine 0 C--N 1.336 0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.369 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.4 m -64.62 -46.3 83.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.528 0.204 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -60.73 -40.64 93.13 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 94.0 m -56.48 -49.8 73.61 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 t -66.66 -31.8 72.71 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.196 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -56.76 -55.04 39.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 12.4 p90 -83.87 -42.27 16.56 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 m-30 -83.43 -58.12 2.96 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.734 0.302 . . . . 0.0 111.45 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 122.411 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.467 ' HD2' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.132 0.491 . . . . 0.0 111.959 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.7 -49.88 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.426 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -45.33 87.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' HA3' ' HD2' ' A' ' 1' ' ' HIS . . . -59.53 -43.63 97.42 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.564 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -55.18 -48.1 74.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.713 0.257 . . . . 0.0 110.899 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -54.4 -41.64 69.51 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.129 0.268 . . . . 0.0 111.097 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 61.1 m -55.52 -44.52 76.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -63.34 -35.32 79.98 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.276 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.91 -56.37 22.8 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 15.0 p90 -79.68 32.23 0.25 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.941 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -133.47 -60.29 0.84 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.817 -0.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 120.488 0.185 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.01 28.51 12.88 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.84 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 52.57 29.49 7.27 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.953 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.55 -41.7 0.34 Allowed Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.706 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m -52.0 -46.19 64.82 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.67 -42.42 71.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.039 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -58.32 -53.68 55.59 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.269 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.1 t -67.83 -41.24 83.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -47.95 -42.99 28.85 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.728 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -48.38 -49.96 32.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.611 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -87.85 -65.24 1.04 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.637 0.256 . . . . 0.0 111.287 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 O-C-N 122.347 -0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.456 ' HB2' HG23 ' A' ' 5' ' ' THR . 92.5 m-70 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.049 0.452 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.19 -142.69 0.12 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.86 11.95 35.02 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.09 -51.1 3.66 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.052 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 1' ' ' HIS . 72.1 p -61.03 -42.47 98.54 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 115.918 -0.141 . . . . 0.0 111.263 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -47.53 -42.18 22.78 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.74 0.305 . . . . 0.0 111.083 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.7 m -71.23 -43.56 67.06 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.673 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.9 p -57.56 -46.69 83.62 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.34 -37.31 60.76 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.235 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -55.95 -48.4 75.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.464 0.174 . . . . 0.0 110.957 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -86.32 -55.97 3.66 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.267 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.801 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.67 0.272 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.44 98.86 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.07 -39.5 90.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.98 -43.24 66.08 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.495 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -64.23 -46.47 83.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 110.969 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.54 -41.8 81.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.796 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.0 m -57.78 -44.4 86.21 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.903 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 t -62.51 -42.71 99.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.338 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -68.3 -46.45 70.26 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.66 -49.23 66.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.804 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.51 -59.42 2.85 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.122 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.814 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.506 ' HB2' ' HA3' ' A' ' 4' ' ' GLY . 89.2 m-70 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.599 0.238 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.33 65.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.824 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -100.14 26.21 6.71 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.537 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 1' ' ' HIS . . . -120.76 -39.27 0.61 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.593 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.9 m -57.26 -45.7 83.74 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.623 0.212 . . . . 0.0 111.228 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 79.7 t80 -60.9 -42.65 98.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.509 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 88.6 m -57.97 -45.58 86.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.158 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 p -80.93 -49.83 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 74.1 m-85 -87.09 53.07 2.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.735 0.302 . . . . 0.0 111.307 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -177.64 -59.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.517 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.4 m170 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 120.532 0.206 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.75 -48.51 66.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.792 0.33 . . . . 0.0 111.243 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.16 -40.93 21.1 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -42.98 98.16 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.306 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -59.87 -36.7 77.45 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.018 0.409 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -56.11 -41.21 74.88 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.827 0.346 . . . . 0.0 110.398 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.5 m -68.18 -38.81 82.41 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.982 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 t -59.37 -51.82 68.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.664 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.67 -33.21 75.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.4 0.143 . . . . 0.0 111.055 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.14 -43.22 82.26 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.093 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -72.55 -50.4 25.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 122.423 -0.173 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.624 0.25 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.0 94.82 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.62 -41.25 84.26 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.62 -50.8 62.54 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.866 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -64.63 -40.18 95.02 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.6 0.2 . . . . 0.0 111.22 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.99 -41.75 92.72 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.4 m -60.6 -45.81 92.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -62.31 -47.9 82.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.62 -54.07 27.31 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -71.24 49.43 0.14 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.043 0.449 . . . . 0.0 110.566 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -168.97 -75.24 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.503 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.774 0.321 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.15 86.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.849 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -56.11 -42.05 76.2 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.72 -48.91 8.33 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.97 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -63.44 -42.53 98.66 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.73 -42.01 74.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.292 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 83.3 m -66.62 -38.87 87.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.103 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -56.32 -51.23 69.0 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.697 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -66.5 -33.77 76.42 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.09 -46.54 68.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.43 -54.65 4.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.177 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 122.428 -0.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.514 ' CD2' ' HA3' ' A' ' 4' ' ' GLY . 21.2 p-80 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.343 0.592 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 3' ' ' GLU . . . -70.07 138.2 51.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.154 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 16.6 tp10 73.96 -54.29 0.68 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.146 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' HA3' ' CD2' ' A' ' 1' ' ' HIS . . . -61.25 -46.71 93.9 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.677 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.0 m -72.35 -41.29 66.6 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.541 0.21 . . . . 0.0 110.83 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -54.34 -42.12 69.86 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.52 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.2 m -68.15 -43.47 78.19 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -58.18 -44.26 87.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.963 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.34 -48.69 60.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -73.36 -55.26 6.63 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -77.19 -51.55 10.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.833 -0.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.614 0.245 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.26 -127.74 2.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.351 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.41 -40.93 47.32 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.447 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 84.8 m -55.84 -46.89 78.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.639 0.257 . . . . 0.0 110.74 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.63 -39.24 93.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 63.2 m -52.09 -51.97 54.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.917 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -71.12 -33.07 69.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.089 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -52.79 -54.71 30.28 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 7' ' ' THR . 6.5 p90 -74.8 -32.31 61.97 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.47 -54.63 37.24 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.105 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.797 -0.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.1 m170 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.748 0.309 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.751 ' O ' HG22 ' A' ' 5' ' ' THR . . . 53.4 -131.98 2.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.436 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.09 -34.97 77.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.568 0.223 . . . . 0.0 111.069 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.4 -43.43 65.93 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.541 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 2' ' ' ALA . 11.8 t -59.2 -38.9 81.0 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 117.083 0.441 . . . . 0.0 111.625 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -59.11 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.57 0.224 . . . . 0.0 110.781 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 m -60.73 -48.1 83.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.151 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.5 t -66.18 -44.05 85.09 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -63.01 -47.22 84.05 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.11 -45.66 87.64 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.69 -77.81 0.06 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.3 -136.45 1.35 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.253 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.31 -37.11 82.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.79 0.328 . . . . 0.0 110.856 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.49 -24.16 51.46 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.697 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.8 m -48.14 -58.94 3.81 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 117.351 0.576 . . . . 0.0 111.931 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.62 -36.77 84.68 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.546 0.212 . . . . 0.0 110.588 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.2 m -53.45 -49.82 66.58 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.997 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -65.04 -42.92 93.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.851 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -61.21 -44.29 97.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.398 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -64.72 -41.8 95.72 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.208 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.14 -55.77 16.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.35 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 122.35 -0.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.867 0.365 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.58 138.9 56.8 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.173 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 66.0 11.61 7.86 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.951 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.91 -47.58 0.28 Allowed Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 p -72.86 -42.61 63.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 110.877 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -62.09 -41.33 98.07 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.351 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -59.65 -48.38 81.91 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.05 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -63.74 -41.12 98.08 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.285 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.99 -48.72 70.29 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.537 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.56 -47.5 66.66 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.894 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -69.4 -61.24 1.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 111.162 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.828 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_