data_1dtc_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 1dtc _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 CA-C-O 121.865 0.703 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -58.7 -43.95 90.2 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.059 -1.848 . . . . 0.0 111.906 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.65 -49.57 74.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.649 -1.907 . . . . 0.0 109.992 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -53.25 -42.04 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.517 -1.364 . . . . 0.0 112.219 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -52.93 -48.59 67.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 119.506 -1.997 . . . . 0.0 109.986 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.58 -43.65 72.42 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.028 -1.045 . . . . 0.0 110.491 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -53.8 -46.21 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.547 -1.345 . . . . 0.0 111.354 170.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.95 -47.29 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 119.442 -2.036 . . . . 0.0 110.116 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.5 -57.53 10.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 119.955 -1.716 . . . . 0.0 110.621 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -56.38 -41.45 76.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.794 -1.192 . . . . 0.0 111.607 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.46 -53.6 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 124.267 1.984 . . . . 0.0 110.337 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.51 -34.28 77.44 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 117.205 -3.434 . . . . 0.0 109.67 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.86 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.36 1.03 0 CA-C-O 122.286 1.041 . . . . 0.0 108.903 164.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.79 93.61 8.94 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 101.83 -3.396 . . . . 0.0 101.83 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.491 1.587 0 CA-C-N 125.634 3.834 . . . . 0.0 104.112 174.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 CA-C-O 121.204 0.336 . . . . 0.0 113.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.28 -15.49 47.84 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.31 1.444 . . . . 0.0 112.953 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.16 -50.78 4.68 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 120.553 1.524 . . . . 0.0 110.383 164.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 t -52.08 -48.35 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 119.82 -1.8 . . . . 0.0 111.943 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.52 -35.26 52.85 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.284 -1.51 . . . . 0.0 111.894 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.94 -35.9 21.77 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 119.829 -1.795 . . . . 0.0 109.959 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.64 -45.18 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.288 -1.508 . . . . 0.0 109.74 164.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mm -67.08 -46.74 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 O-C-N 119.582 -1.949 . . . . 0.0 110.824 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -53.12 -56.62 14.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 119.653 -1.904 . . . . 0.0 110.485 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -58.13 -44.7 87.93 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.777 -1.202 . . . . 0.0 110.813 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.3 -48.92 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-O 123.601 1.667 . . . . 0.0 110.98 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.16 -34.87 73.54 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 117.265 -3.397 . . . . 0.0 110.229 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.91 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.359 0.994 0 CA-C-O 122.301 1.048 . . . . 0.0 109.08 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -91.35 95.2 9.87 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-N 125.315 3.689 . . . . 0.0 103.387 164.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.414 0 CA-C-O 122.432 1.018 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -41.61 -46.76 3.73 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 119.917 -1.931 . . . . 0.0 112.075 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.39 -31.67 70.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.097 -1.002 . . . . 0.0 113.598 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -45.22 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 122.237 2.289 . . . . 0.0 111.555 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.72 -40.27 87.43 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.334 -1.479 . . . . 0.0 111.216 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -72.74 -41.3 65.29 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.06 -1.65 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -53.7 -49.14 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 120.428 -1.42 . . . . 0.0 110.586 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.47 -49.69 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 119.711 -1.868 . . . . 0.0 110.626 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.03 -53.9 43.31 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.3 -1.5 . . . . 0.0 110.569 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 m -58.07 -50.84 72.06 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.242 -1.536 . . . . 0.0 110.336 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.05 -43.41 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 120.842 -1.161 . . . . 0.0 111.158 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -78.25 -55.03 5.58 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.283 -2.136 . . . . 0.0 111.901 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.46 -49.61 68.44 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.337 -1.477 . . . . 0.0 112.292 -173.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -89.09 -59.03 2.33 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.091 1.356 . . . . 0.0 109.708 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.491 1.617 0 O-C-N 120.403 -1.436 . . . . 0.0 109.49 -171.512 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 CA-C-O 121.672 0.596 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -58.24 -45.82 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.036 -1.861 . . . . 0.0 111.613 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -55.96 -49.77 72.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.897 -1.752 . . . . 0.0 110.082 171.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.29 -43.16 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 125.289 1.436 . . . . 0.0 112.062 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -53.12 -51.3 62.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.89 -1.756 . . . . 0.0 109.217 173.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.92 -45.3 74.74 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.219 -0.926 . . . . 0.0 110.422 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.78 -49.0 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.802 -1.186 . . . . 0.0 111.246 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.32 -42.89 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 119.832 -1.792 . . . . 0.0 110.665 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -53.32 -59.7 4.24 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 119.693 -1.879 . . . . 0.0 109.357 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.2 m -54.82 -48.5 72.74 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.062 -1.024 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.44 -50.04 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 123.454 1.597 . . . . 0.0 111.261 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -31.84 68.03 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 117.499 -3.251 . . . . 0.0 109.286 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -60.54 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -91.57 97.36 10.99 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-N 125.507 3.776 . . . . 0.0 103.906 166.212 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 121.066 0.259 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.72 -43.07 94.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 119.977 -1.896 . . . . 0.0 111.502 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.33 -52.45 65.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.476 -1.39 . . . . 0.0 109.452 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -52.47 -48.48 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 124.759 1.224 . . . . 0.0 110.651 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.54 -47.96 75.48 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 120.109 -1.62 . . . . 0.0 110.813 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -64.64 -45.25 87.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.732 -1.23 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.0 mt -53.82 -44.97 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.687 -1.258 . . . . 0.0 111.205 171.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.27 -48.45 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 119.408 -2.057 . . . . 0.0 110.429 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.34 -57.85 9.15 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.208 -1.557 . . . . 0.0 110.415 173.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -54.96 -42.95 72.99 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.983 -1.073 . . . . 0.0 111.146 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.83 -48.79 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 123.318 1.532 . . . . 0.0 110.91 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -70.14 -34.74 73.42 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.342 -3.349 . . . . 0.0 110.294 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.02 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 CA-C-O 122.213 1.006 . . . . 0.0 108.857 164.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.59 96.94 10.74 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 102.542 -3.132 . . . . 0.0 102.542 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-N 125.552 3.796 . . . . 0.0 103.385 165.324 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.355 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -59.87 -44.4 94.19 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.979 -1.895 . . . . 0.0 111.591 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.86 -49.73 74.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 119.872 -1.768 . . . . 0.0 110.063 171.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -53.44 -43.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 120.496 -1.378 . . . . 0.0 112.216 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -54.13 -49.06 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.543 -1.973 . . . . 0.0 109.404 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.08 -45.33 77.61 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.097 -1.002 . . . . 0.0 110.559 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.7 mt -53.75 -48.59 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.793 -1.192 . . . . 0.0 111.482 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.55 -44.29 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 119.533 -1.979 . . . . 0.0 110.561 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.31 -60.25 3.54 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 119.751 -1.843 . . . . 0.0 109.665 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -54.74 -44.8 73.88 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.07 -1.019 . . . . 0.0 111.334 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.21 -57.8 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-O 124.115 1.912 . . . . 0.0 110.506 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.39 -32.98 74.82 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.515 -3.241 . . . . 0.0 109.921 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.9 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.517 1.151 . . . . 0.0 108.423 164.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.91 92.87 8.53 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.491 1.596 0 CA-C-N 125.637 3.835 . . . . 0.0 103.681 172.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 113.631 0.212 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -63.85 -42.93 97.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.76 -2.023 . . . . 0.0 111.46 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -52.2 66.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.541 -1.349 . . . . 0.0 109.786 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 t -53.1 -47.35 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.027 1.331 . . . . 0.0 110.744 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.52 -49.17 73.31 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 120.198 -1.564 . . . . 0.0 110.048 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -61.53 -46.71 88.78 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.009 -1.057 . . . . 0.0 110.575 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.8 -47.31 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.836 -1.165 . . . . 0.0 111.545 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.16 -44.69 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 119.367 -2.083 . . . . 0.0 110.643 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.16 -63.29 1.19 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 119.986 -1.696 . . . . 0.0 108.972 169.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.1 m -49.93 -37.14 30.51 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.678 1.191 . . . . 0.0 112.895 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.65 -41.45 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.851 1.66 . . . . 0.0 112.398 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.55 -49.58 11.15 Favored 'General case' 0 N--CA 1.495 1.778 1 O-C-N 115.85 -4.281 . . . . 0.0 106.227 -175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.439 64.7 mttt -58.4 -87.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 1 CA-C-O 89.633 -14.508 . . . . 0.0 105.352 163.847 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -93.77 123.71 37.29 Favored 'General case' 0 C--N 1.307 -1.239 2 O-C-N 71.618 -31.927 . . . . 0.0 108.546 165.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.493 1.724 0 CA-C-N 125.635 3.834 . . . . 0.0 107.857 167.806 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 CA-C-O 121.348 0.416 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -70.56 -12.05 61.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 119.821 -1.987 . . . . 0.0 112.609 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -92.76 -41.85 9.9 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.148 2.249 . . . . 0.0 113.686 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.71 -41.52 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 119.644 -1.91 . . . . 0.0 112.707 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.54 -37.58 68.14 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 119.7 -1.875 . . . . 0.0 112.122 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -75.78 -40.53 55.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.984 -1.697 . . . . 0.0 109.577 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.5 -46.77 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.671 -1.268 . . . . 0.0 110.828 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.53 -45.32 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 119.26 -2.15 . . . . 0.0 110.894 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.5 -65.08 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.714 -1.241 . . . . 0.0 109.11 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -50.56 -44.09 56.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.767 0.827 . . . . 0.0 110.406 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.42 -63.9 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-O 124.53 2.11 . . . . 0.0 110.984 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.66 -30.22 70.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 117.391 -3.318 . . . . 0.0 110.885 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -62.57 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.895 -1.128 . . . . 0.0 108.895 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.76 91.8 8.12 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 101.597 -3.483 . . . . 0.0 101.597 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.516 0 CA-C-N 125.511 3.778 . . . . 0.0 104.478 173.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 121.429 0.46 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.59 -45.21 81.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.854 -1.969 . . . . 0.0 111.794 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.77 -49.58 74.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 119.855 -1.778 . . . . 0.0 110.014 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.6 t -53.31 -43.37 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 125.255 1.422 . . . . 0.0 112.052 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -53.65 -49.66 67.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.735 -1.853 . . . . 0.0 109.759 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -68.57 -44.28 74.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.112 -0.993 . . . . 0.0 110.601 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.3 mt -53.76 -47.29 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 120.634 -1.291 . . . . 0.0 111.194 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.46 -47.05 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.686 -1.884 . . . . 0.0 110.263 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.26 -57.86 9.08 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.086 -1.634 . . . . 0.0 110.027 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 m -55.22 -46.08 75.96 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.945 -1.097 . . . . 0.0 111.27 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.04 -49.36 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 123.61 1.672 . . . . 0.0 111.128 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -72.05 -32.83 67.47 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 117.428 -3.295 . . . . 0.0 109.726 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.46 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 164.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -91.73 99.24 12.16 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 103.166 -2.901 . . . . 0.0 103.166 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.489 1.504 0 CA-C-N 125.765 3.893 . . . . 0.0 102.415 164.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 CA-C-O 121.597 0.554 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 119.756 -2.026 . . . . 0.0 111.765 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.85 -49.16 74.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 119.938 -1.726 . . . . 0.0 109.861 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 t -53.2 -45.94 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.461 -1.399 . . . . 0.0 111.984 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -53.28 -49.48 66.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.674 -1.891 . . . . 0.0 109.671 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -67.17 -43.87 81.14 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.163 -0.961 . . . . 0.0 110.838 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.87 -46.98 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.363 -1.46 . . . . 0.0 111.348 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.36 -49.14 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 119.465 -2.022 . . . . 0.0 110.212 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -53.48 -58.27 7.74 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.306 -1.496 . . . . 0.0 110.501 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -54.86 -41.2 70.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.781 -1.199 . . . . 0.0 111.348 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.73 -53.51 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-O 123.985 1.85 . . . . 0.0 110.7 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -67.89 -31.52 71.36 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 117.285 -3.385 . . . . 0.0 110.224 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.06 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.359 0.996 0 CA-C-O 122.343 1.068 . . . . 0.0 108.303 164.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -91.91 95.02 9.59 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-N 125.659 3.845 . . . . 0.0 104.154 172.347 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.052 0 N-CA-C 113.797 0.279 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 74.9 m-20 -64.41 -16.19 61.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.27 -1.723 . . . . 0.0 112.393 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.1 mt -90.9 -55.05 3.71 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 120.653 1.57 . . . . 0.0 109.4 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.03 -48.33 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 119.886 -1.759 . . . . 0.0 112.476 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.77 -33.29 55.39 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.164 -1.585 . . . . 0.0 111.804 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 20.0 m95 -86.96 -35.92 18.59 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.756 -1.84 . . . . 0.0 109.701 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.0 mt -53.63 -44.76 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.465 -1.397 . . . . 0.0 110.005 164.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.93 -53.39 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.603 1.161 . . . . 0.0 110.274 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -53.06 -55.23 25.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 119.899 -1.751 . . . . 0.0 110.642 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -60.74 -39.1 87.43 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 120.634 -1.291 . . . . 0.0 111.18 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.6 -49.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 120.031 -1.668 . . . . 0.0 110.344 168.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -72.49 -32.18 65.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.459 -3.275 . . . . 0.0 110.574 -175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.67 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.904 -1.123 . . . . 0.0 108.395 164.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -91.59 95.58 10.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 103.05 -2.945 . . . . 0.0 103.05 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-N 125.304 3.684 . . . . 0.0 103.247 164.707 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.04 -44.47 91.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 119.874 -1.956 . . . . 0.0 111.896 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.09 -49.58 73.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 119.723 -1.861 . . . . 0.0 110.089 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.27 -44.59 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.49 -1.381 . . . . 0.0 111.939 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -54.07 -47.92 71.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.525 -1.984 . . . . 0.0 109.762 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -69.81 -42.82 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.738 -1.226 . . . . 0.0 110.909 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -53.82 -40.18 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.507 -1.37 . . . . 0.0 111.621 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -72.64 -46.01 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 119.57 -1.956 . . . . 0.0 111.295 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.23 -58.01 8.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.794 -1.816 . . . . 0.0 109.382 171.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -53.24 -49.4 66.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 122.429 1.109 . . . . 0.0 111.422 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.32 0.5 OUTLIER -69.0 -45.69 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.409 -1.432 . . . . 0.0 110.464 -173.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.63 -62.52 1.6 Allowed 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.488 -2.007 . . . . 0.0 111.022 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -65.3 -50.11 66.94 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.947 -1.096 . . . . 0.0 111.237 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -89.11 -50.65 6.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.546 1.138 . . . . 0.0 111.549 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.488 1.466 0 O-C-N 120.577 -1.327 . . . . 0.0 109.203 -171.673 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.99 -45.65 67.95 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 119.701 -1.874 . . . . 0.0 112.549 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -57.57 -41.84 81.91 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.297 -1.502 . . . . 0.0 111.89 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.42 -42.05 75.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.272 -1.518 . . . . 0.0 111.414 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.62 -47.08 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 120.563 -1.336 . . . . 0.0 109.838 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.66 -45.14 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.072 -1.643 . . . . 0.0 110.285 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.2 m -57.76 -47.32 82.84 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.13 -1.606 . . . . 0.0 111.289 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -60.2 -50.4 73.82 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 120.661 -1.274 . . . . 0.0 108.927 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.3 mt -55.54 -40.91 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 119.559 -1.963 . . . . 0.0 110.53 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.62 -48.69 75.14 Favored Glycine 0 N--CA 1.48 1.577 0 O-C-N 119.784 -1.823 . . . . 0.0 111.743 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -58.7 -43.95 90.2 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.059 -1.848 . . . . 0.0 111.906 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.65 -49.57 74.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.649 -1.907 . . . . 0.0 109.992 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -53.25 -42.04 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.517 -1.364 . . . . 0.0 112.219 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -52.93 -48.59 67.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 119.506 -1.997 . . . . 0.0 109.986 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.58 -43.65 72.42 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.028 -1.045 . . . . 0.0 110.491 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -53.8 -46.21 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.547 -1.345 . . . . 0.0 111.354 170.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.95 -47.29 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 119.442 -2.036 . . . . 0.0 110.116 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.5 -57.53 10.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 119.955 -1.716 . . . . 0.0 110.621 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -56.38 -41.45 76.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.794 -1.192 . . . . 0.0 111.607 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.46 -53.6 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 124.267 1.984 . . . . 0.0 110.337 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.51 -34.28 77.44 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 117.205 -3.434 . . . . 0.0 109.67 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.86 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.36 1.03 0 CA-C-O 122.286 1.041 . . . . 0.0 108.903 164.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.79 93.61 8.94 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 101.83 -3.396 . . . . 0.0 101.83 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -78.35 73.24 4.91 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 125.634 3.834 . . . . 0.0 104.112 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.4 mttt 66.17 80.7 0.22 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.695 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 C--N 1.375 1.703 0 O-C-N 120.732 -1.23 . . . . 0.0 108.611 -168.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.53 87.96 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 119.453 -2.03 . . . . 0.0 112.143 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -54.02 -46.65 71.87 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 120.694 -1.254 . . . . 0.0 111.14 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -42.32 75.54 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.621 -1.3 . . . . 0.0 110.945 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.11 -49.47 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.586 -1.321 . . . . 0.0 109.938 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.68 -47.68 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.144 -1.597 . . . . 0.0 109.997 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -53.3 -50.97 63.81 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 120.787 -1.196 . . . . 0.0 110.525 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.4 m -61.21 -47.45 86.04 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.817 -1.177 . . . . 0.0 109.495 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.4 mt -50.38 -53.26 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 120.231 -1.543 . . . . 0.0 109.053 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 -44.0 97.72 Favored Glycine 0 N--CA 1.488 2.133 0 O-C-N 120.369 -1.457 . . . . 0.0 113.338 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.28 -15.49 47.84 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.31 1.444 . . . . 0.0 112.953 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.16 -50.78 4.68 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 120.553 1.524 . . . . 0.0 110.383 164.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 t -52.08 -48.35 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 119.82 -1.8 . . . . 0.0 111.943 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.52 -35.26 52.85 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.284 -1.51 . . . . 0.0 111.894 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.94 -35.9 21.77 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 119.829 -1.795 . . . . 0.0 109.959 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.64 -45.18 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.288 -1.508 . . . . 0.0 109.74 164.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mm -67.08 -46.74 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 O-C-N 119.582 -1.949 . . . . 0.0 110.824 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -53.12 -56.62 14.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 119.653 -1.904 . . . . 0.0 110.485 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -58.13 -44.7 87.93 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.777 -1.202 . . . . 0.0 110.813 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.3 -48.92 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-O 123.601 1.667 . . . . 0.0 110.98 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.16 -34.87 73.54 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 117.265 -3.397 . . . . 0.0 110.229 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.91 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.359 0.994 0 CA-C-O 122.301 1.048 . . . . 0.0 109.08 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -91.35 95.2 9.87 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -78.11 67.34 3.92 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 125.315 3.689 . . . . 0.0 103.387 164.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -140.27 -150.75 0.33 Allowed 'General case' 0 C--N 1.371 1.522 0 C-N-CA 125.365 1.466 . . . . 0.0 107.796 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--N 1.374 1.631 0 O-C-N 118.277 -2.764 . . . . 0.0 111.157 164.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.96 61.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 127.999 2.52 . . . . 0.0 116.914 -164.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.277 41.0 mt-30 85.44 32.56 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 128.287 2.635 . . . . 0.0 110.856 -166.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 5' ' ' ILE . 29.1 m-20 62.72 65.27 0.84 Allowed 'General case' 0 C--N 1.376 1.735 1 N-CA-C 99.578 -4.231 . . . . 0.0 99.578 -163.254 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 4' ' ' ASP 1.341 13.8 tt 19.99 112.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.404 2.954 1 CA-C-O 99.77 -9.681 . . . . 0.0 100.295 -162.336 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' O ' ' N ' ' A' ' 8' ' ' THR . 11.5 tt -52.75 131.12 14.51 Favored 'Isoleucine or valine' 0 C--N 1.385 2.123 2 CA-C-N 134.359 7.8 . . . . 0.0 115.479 -150.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m 30.94 -27.96 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.685 0 C-N-CA 130.861 3.664 . . . . 0.0 119.297 -164.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.608 ' N ' ' O ' ' A' ' 6' ' ' ILE . 21.8 m -74.25 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.972 1 C-N-CA 139.514 7.125 . . . . 0.0 110.354 -164.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 5' ' ' ILE 0.553 39.5 mt -62.27 -10.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.956 0 N-CA-C 103.884 -2.636 . . . . 0.0 103.884 164.055 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.9 -70.5 0.92 Allowed Glycine 0 N--CA 1.507 3.414 1 C-N-CA 112.724 -4.56 . . . . 0.0 113.089 163.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -41.61 -46.76 3.73 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 119.917 -1.931 . . . . 0.0 112.075 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.39 -31.67 70.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.097 -1.002 . . . . 0.0 113.598 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -45.22 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 122.237 2.289 . . . . 0.0 111.555 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.72 -40.27 87.43 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.334 -1.479 . . . . 0.0 111.216 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -72.74 -41.3 65.29 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.06 -1.65 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -53.7 -49.14 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 120.428 -1.42 . . . . 0.0 110.586 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.47 -49.69 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 119.711 -1.868 . . . . 0.0 110.626 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.03 -53.9 43.31 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.3 -1.5 . . . . 0.0 110.569 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 m -58.07 -50.84 72.06 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.242 -1.536 . . . . 0.0 110.336 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.05 -43.41 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 120.842 -1.161 . . . . 0.0 111.158 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -78.25 -55.03 5.58 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.283 -2.136 . . . . 0.0 111.901 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.46 -49.61 68.44 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.337 -1.477 . . . . 0.0 112.292 -173.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -89.09 -59.03 2.33 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.091 1.356 . . . . 0.0 109.708 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m -83.21 46.26 1.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.403 -1.436 . . . . 0.0 109.49 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.87 -38.32 61.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 118.487 -2.633 . . . . 0.0 111.954 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 C--N 1.375 1.716 0 CA-C-N 121.271 1.85 . . . . 0.0 109.223 -171.726 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.09 79.93 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 119.637 -1.915 . . . . 0.0 112.435 -168.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.16 -41.98 76.3 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.563 -1.335 . . . . 0.0 111.952 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -74.37 -40.28 62.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.27 -1.519 . . . . 0.0 111.515 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.91 -48.36 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.546 -1.346 . . . . 0.0 109.717 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.7 -45.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 120.274 -1.516 . . . . 0.0 110.227 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -57.47 -48.83 78.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.218 -1.551 . . . . 0.0 111.172 175.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -61.07 -52.74 63.64 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.75 -1.219 . . . . 0.0 109.086 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -56.07 -42.43 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 119.674 -1.891 . . . . 0.0 110.338 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.17 -48.46 74.23 Favored Glycine 0 N--CA 1.478 1.495 0 O-C-N 119.887 -1.758 . . . . 0.0 111.762 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -58.24 -45.82 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.036 -1.861 . . . . 0.0 111.613 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -55.96 -49.77 72.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.897 -1.752 . . . . 0.0 110.082 171.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.29 -43.16 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 125.289 1.436 . . . . 0.0 112.062 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -53.12 -51.3 62.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.89 -1.756 . . . . 0.0 109.217 173.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.92 -45.3 74.74 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.219 -0.926 . . . . 0.0 110.422 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.78 -49.0 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.802 -1.186 . . . . 0.0 111.246 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.32 -42.89 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 119.832 -1.792 . . . . 0.0 110.665 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -53.32 -59.7 4.24 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 119.693 -1.879 . . . . 0.0 109.357 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.2 m -54.82 -48.5 72.74 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.062 -1.024 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.44 -50.04 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 123.454 1.597 . . . . 0.0 111.261 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -31.84 68.03 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 117.499 -3.251 . . . . 0.0 109.286 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -60.54 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -91.57 97.36 10.99 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.4 m -78.2 65.16 3.5 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 125.507 3.776 . . . . 0.0 103.906 166.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 55.18 -144.15 0.7 Allowed 'General case' 0 C--N 1.374 1.635 0 O-C-N 121.382 -0.824 . . . . 0.0 110.475 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--N 1.372 1.563 0 O-C-N 118.622 -2.549 . . . . 0.0 111.179 166.349 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.51 85.03 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 119.439 -2.038 . . . . 0.0 112.229 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -56.07 -43.84 78.33 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.519 -1.363 . . . . 0.0 111.555 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.21 -42.65 75.44 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.451 -1.406 . . . . 0.0 110.849 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.98 -47.3 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.549 -1.344 . . . . 0.0 110.106 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.74 -47.17 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 120.182 -1.574 . . . . 0.0 109.915 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -55.97 -50.02 71.96 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.564 -1.335 . . . . 0.0 110.864 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -57.9 -54.15 50.2 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.845 -1.159 . . . . 0.0 108.544 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -54.1 -44.24 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 119.777 -1.827 . . . . 0.0 110.72 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.09 92.71 Favored Glycine 0 N--CA 1.481 1.697 0 O-C-N 119.961 -1.712 . . . . 0.0 113.06 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.72 -43.07 94.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 119.977 -1.896 . . . . 0.0 111.502 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.33 -52.45 65.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.476 -1.39 . . . . 0.0 109.452 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -52.47 -48.48 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 124.759 1.224 . . . . 0.0 110.651 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.54 -47.96 75.48 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 120.109 -1.62 . . . . 0.0 110.813 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -64.64 -45.25 87.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.732 -1.23 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.0 mt -53.82 -44.97 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.687 -1.258 . . . . 0.0 111.205 171.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.27 -48.45 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 119.408 -2.057 . . . . 0.0 110.429 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.34 -57.85 9.15 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.208 -1.557 . . . . 0.0 110.415 173.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -54.96 -42.95 72.99 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.983 -1.073 . . . . 0.0 111.146 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.83 -48.79 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 123.318 1.532 . . . . 0.0 110.91 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -70.14 -34.74 73.42 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.342 -3.349 . . . . 0.0 110.294 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.02 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 CA-C-O 122.213 1.006 . . . . 0.0 108.857 164.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.59 96.94 10.74 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 102.542 -3.132 . . . . 0.0 102.542 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -78.12 67.28 3.91 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 125.552 3.796 . . . . 0.0 103.385 165.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -141.3 -150.94 0.34 Allowed 'General case' 0 C--N 1.371 1.522 0 C-N-CA 125.263 1.425 . . . . 0.0 108.033 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.374 1.652 0 O-C-N 118.313 -2.742 . . . . 0.0 111.157 165.616 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mtp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.11 -44.58 67.78 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.66 -1.9 . . . . 0.0 112.281 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -56.66 -41.99 78.17 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.339 -1.476 . . . . 0.0 111.954 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.95 -42.1 73.66 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.132 -1.605 . . . . 0.0 111.644 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.74 -49.05 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.519 -1.363 . . . . 0.0 109.753 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.68 -42.15 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.35 -1.469 . . . . 0.0 110.31 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.98 -45.9 91.19 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.051 -1.656 . . . . 0.0 111.302 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.5 m -62.1 -53.15 59.55 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.547 -1.346 . . . . 0.0 109.105 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.0 mt -54.66 -43.56 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 119.617 -1.927 . . . . 0.0 110.026 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.24 -45.88 81.17 Favored Glycine 0 N--CA 1.476 1.355 0 O-C-N 120.188 -1.57 . . . . 0.0 111.851 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -59.87 -44.4 94.19 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.979 -1.895 . . . . 0.0 111.591 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.86 -49.73 74.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 119.872 -1.768 . . . . 0.0 110.063 171.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -53.44 -43.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 120.496 -1.378 . . . . 0.0 112.216 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -54.13 -49.06 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.543 -1.973 . . . . 0.0 109.404 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.08 -45.33 77.61 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.097 -1.002 . . . . 0.0 110.559 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.7 mt -53.75 -48.59 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.793 -1.192 . . . . 0.0 111.482 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.55 -44.29 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 119.533 -1.979 . . . . 0.0 110.561 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.31 -60.25 3.54 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 119.751 -1.843 . . . . 0.0 109.665 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -54.74 -44.8 73.88 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.07 -1.019 . . . . 0.0 111.334 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.21 -57.8 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-O 124.115 1.912 . . . . 0.0 110.506 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.39 -32.98 74.82 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.515 -3.241 . . . . 0.0 109.921 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.9 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.517 1.151 . . . . 0.0 108.423 164.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.91 92.87 8.53 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m -78.31 69.92 4.59 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 125.637 3.835 . . . . 0.0 103.681 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.19 136.62 58.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.75 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 C--N 1.368 1.402 0 O-C-N 120.275 -1.516 . . . . 0.0 110.905 177.65 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.26 52.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 119.574 -1.953 . . . . 0.0 112.295 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.93 -44.79 64.05 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.949 -1.719 . . . . 0.0 111.865 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.73 -37.0 67.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.42 -1.425 . . . . 0.0 111.471 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -57.39 -51.43 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.107 -1.621 . . . . 0.0 109.036 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.52 -54.24 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.029 -1.67 . . . . 0.0 109.376 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -67.44 -81.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.792 -1.192 . . . . 0.0 109.735 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.2 m -64.16 -61.26 2.37 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.272 -1.518 . . . . 0.0 108.777 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.45 -41.24 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 121.261 1.846 . . . . 0.0 110.45 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.77 91.3 Favored Glycine 0 N--CA 1.482 1.716 0 O-C-N 119.39 -2.069 . . . . 0.0 113.631 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -63.85 -42.93 97.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.76 -2.023 . . . . 0.0 111.46 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -52.2 66.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.541 -1.349 . . . . 0.0 109.786 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 t -53.1 -47.35 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.027 1.331 . . . . 0.0 110.744 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.52 -49.17 73.31 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 120.198 -1.564 . . . . 0.0 110.048 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -61.53 -46.71 88.78 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.009 -1.057 . . . . 0.0 110.575 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.8 -47.31 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.836 -1.165 . . . . 0.0 111.545 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.16 -44.69 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 119.367 -2.083 . . . . 0.0 110.643 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.16 -63.29 1.19 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 119.986 -1.696 . . . . 0.0 108.972 169.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.1 m -49.93 -37.14 30.51 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.678 1.191 . . . . 0.0 112.895 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.65 -41.45 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.851 1.66 . . . . 0.0 112.398 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.55 -49.58 11.15 Favored 'General case' 0 N--CA 1.495 1.778 1 O-C-N 115.85 -4.281 . . . . 0.0 106.227 -175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.439 64.7 mttt -58.4 -87.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 1 CA-C-O 89.633 -14.508 . . . . 0.0 105.352 163.847 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -93.77 123.71 37.29 Favored 'General case' 0 C--N 1.307 -1.239 2 O-C-N 71.618 -31.927 . . . . 0.0 108.546 165.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -78.34 65.51 3.69 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 125.635 3.834 . . . . 0.0 107.857 167.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -152.41 -58.37 0.14 Allowed 'General case' 0 C--N 1.375 1.712 0 C-N-CA 123.866 0.866 . . . . 0.0 109.555 164.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.372 1.581 0 O-C-N 119.843 -1.786 . . . . 0.0 109.31 -172.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' ALA . 83.9 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . -51.0 124.66 11.82 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 116.649 -3.782 . . . . 0.0 109.55 -161.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -9.65 24.52 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.14 1 C-N-CA 134.114 4.966 . . . . 0.0 118.744 -164.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 2' ' ' ALA . 16.4 m-20 -162.11 -40.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 O-C-N 117.353 -3.342 . . . . 0.0 109.93 -163.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.4 ' HB ' ' CA ' ' A' ' 1' ' ' MET . 4.9 mt -63.47 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 N-CA-C 102.582 -3.118 . . . . 0.0 102.582 162.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.17 -76.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 164.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -53.64 -71.69 0.07 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.479 -1.388 . . . . 0.0 111.566 -168.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 m -65.77 -66.57 0.53 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.452 -2.03 . . . . 0.0 108.591 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.301 96.3 mt -60.31 -40.53 84.15 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 O-C-N 119.57 -1.956 . . . . 0.0 110.734 -170.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.32 -44.81 96.36 Favored Glycine 0 N--CA 1.484 1.846 0 O-C-N 119.407 -2.058 . . . . 0.0 113.683 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -70.56 -12.05 61.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 119.821 -1.987 . . . . 0.0 112.609 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -92.76 -41.85 9.9 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.148 2.249 . . . . 0.0 113.686 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.71 -41.52 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 119.644 -1.91 . . . . 0.0 112.707 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.54 -37.58 68.14 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 119.7 -1.875 . . . . 0.0 112.122 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -75.78 -40.53 55.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.984 -1.697 . . . . 0.0 109.577 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.5 -46.77 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.671 -1.268 . . . . 0.0 110.828 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.53 -45.32 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 119.26 -2.15 . . . . 0.0 110.894 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.5 -65.08 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.714 -1.241 . . . . 0.0 109.11 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -50.56 -44.09 56.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.767 0.827 . . . . 0.0 110.406 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.42 -63.9 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-O 124.53 2.11 . . . . 0.0 110.984 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.66 -30.22 70.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 117.391 -3.318 . . . . 0.0 110.885 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -62.57 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.895 -1.128 . . . . 0.0 108.895 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.76 91.8 8.12 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 101.597 -3.483 . . . . 0.0 101.597 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m -77.81 73.14 4.38 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 125.511 3.778 . . . . 0.0 104.478 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.21 144.9 52.88 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.721 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--N 1.371 1.513 0 O-C-N 119.826 -1.796 . . . . 0.0 108.717 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.92 61.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.273 -2.142 . . . . 0.0 113.138 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -54.81 -40.18 69.27 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.125 -1.609 . . . . 0.0 112.067 171.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.61 -35.53 52.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.69 -1.256 . . . . 0.0 111.932 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.98 -52.81 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 O-C-N 120.111 -1.618 . . . . 0.0 108.312 169.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.3 -51.82 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.096 -1.628 . . . . 0.0 109.477 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m -70.09 -78.66 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.556 -1.34 . . . . 0.0 109.801 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 m -68.13 -59.16 3.44 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.423 -1.423 . . . . 0.0 108.943 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -59.78 -39.68 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 121.44 1.927 . . . . 0.0 110.407 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.63 -47.91 74.52 Favored Glycine 0 N--CA 1.481 1.641 0 O-C-N 119.425 -2.047 . . . . 0.0 112.331 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.59 -45.21 81.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.854 -1.969 . . . . 0.0 111.794 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.77 -49.58 74.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 119.855 -1.778 . . . . 0.0 110.014 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.6 t -53.31 -43.37 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 125.255 1.422 . . . . 0.0 112.052 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -53.65 -49.66 67.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.735 -1.853 . . . . 0.0 109.759 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -68.57 -44.28 74.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.112 -0.993 . . . . 0.0 110.601 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.3 mt -53.76 -47.29 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 120.634 -1.291 . . . . 0.0 111.194 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.46 -47.05 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.686 -1.884 . . . . 0.0 110.263 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.26 -57.86 9.08 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.086 -1.634 . . . . 0.0 110.027 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 m -55.22 -46.08 75.96 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.945 -1.097 . . . . 0.0 111.27 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.04 -49.36 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 123.61 1.672 . . . . 0.0 111.128 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -72.05 -32.83 67.47 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 117.428 -3.295 . . . . 0.0 109.726 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.46 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 164.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -91.73 99.24 12.16 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 103.166 -2.901 . . . . 0.0 103.166 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.4 m -78.12 72.83 4.67 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 125.765 3.893 . . . . 0.0 102.415 164.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 82.03 140.34 0.07 Allowed 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.142 2.177 . . . . 0.0 110.145 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 C--N 1.373 1.615 0 O-C-N 120.045 -1.66 . . . . 0.0 108.993 -179.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.6 mtp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.1 -46.35 72.09 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 119.671 -1.893 . . . . 0.0 112.298 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -56.31 -45.21 80.38 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.395 -1.441 . . . . 0.0 111.356 175.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.93 -42.26 90.31 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.365 -1.459 . . . . 0.0 111.5 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.11 -45.66 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 O-C-N 120.495 -1.378 . . . . 0.0 110.115 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -46.07 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 119.999 -1.688 . . . . 0.0 110.214 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.0 m -57.67 -46.32 84.42 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.205 -1.559 . . . . 0.0 111.437 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.2 m -60.48 -50.02 75.22 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.611 -1.306 . . . . 0.0 109.097 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.5 mt -55.71 -43.37 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 119.407 -2.058 . . . . 0.0 110.309 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.57 -46.03 89.05 Favored Glycine 0 N--CA 1.478 1.486 0 O-C-N 119.924 -1.735 . . . . 0.0 111.932 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 119.756 -2.026 . . . . 0.0 111.765 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.85 -49.16 74.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 119.938 -1.726 . . . . 0.0 109.861 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 t -53.2 -45.94 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.461 -1.399 . . . . 0.0 111.984 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -53.28 -49.48 66.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.674 -1.891 . . . . 0.0 109.671 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -67.17 -43.87 81.14 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.163 -0.961 . . . . 0.0 110.838 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.87 -46.98 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.363 -1.46 . . . . 0.0 111.348 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.36 -49.14 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 119.465 -2.022 . . . . 0.0 110.212 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -53.48 -58.27 7.74 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.306 -1.496 . . . . 0.0 110.501 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -54.86 -41.2 70.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.781 -1.199 . . . . 0.0 111.348 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.73 -53.51 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-O 123.985 1.85 . . . . 0.0 110.7 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -67.89 -31.52 71.36 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 117.285 -3.385 . . . . 0.0 110.224 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.06 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.359 0.996 0 CA-C-O 122.343 1.068 . . . . 0.0 108.303 164.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -91.91 95.02 9.59 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -78.08 73.7 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 125.659 3.845 . . . . 0.0 104.154 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 74.01 0.08 Allowed 'General case' 0 C--N 1.367 1.367 0 CA-C-N 114.425 -1.261 . . . . 0.0 107.93 169.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.486 1.332 0 O-C-N 119.851 -1.781 . . . . 0.0 110.329 -178.374 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mtp . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.93 62.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 119.175 -2.203 . . . . 0.0 112.899 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -53.8 -41.27 67.12 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.385 -1.447 . . . . 0.0 111.967 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.85 -35.05 51.47 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.793 -1.192 . . . . 0.0 112.182 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.12 -53.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.044 -1.66 . . . . 0.0 108.528 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.23 -52.66 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.015 -1.678 . . . . 0.0 108.778 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m -67.97 -83.7 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.197 -0.939 . . . . 0.0 109.537 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.8 m -66.52 -55.14 16.89 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 119.381 -2.074 . . . . 0.0 109.219 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.25 51.2 mt -59.44 -47.45 90.67 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 CA-C-N 120.805 1.638 . . . . 0.0 109.675 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.8 98.79 Favored Glycine 0 N--CA 1.487 2.052 0 O-C-N 119.892 -1.755 . . . . 0.0 113.797 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 74.9 m-20 -64.41 -16.19 61.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.27 -1.723 . . . . 0.0 112.393 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.1 mt -90.9 -55.05 3.71 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 120.653 1.57 . . . . 0.0 109.4 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.03 -48.33 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 119.886 -1.759 . . . . 0.0 112.476 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.77 -33.29 55.39 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.164 -1.585 . . . . 0.0 111.804 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 20.0 m95 -86.96 -35.92 18.59 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.756 -1.84 . . . . 0.0 109.701 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.0 mt -53.63 -44.76 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.465 -1.397 . . . . 0.0 110.005 164.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.93 -53.39 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.603 1.161 . . . . 0.0 110.274 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -53.06 -55.23 25.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 119.899 -1.751 . . . . 0.0 110.642 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -60.74 -39.1 87.43 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 120.634 -1.291 . . . . 0.0 111.18 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.6 -49.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 120.031 -1.668 . . . . 0.0 110.344 168.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -72.49 -32.18 65.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.459 -3.275 . . . . 0.0 110.574 -175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.67 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.904 -1.123 . . . . 0.0 108.395 164.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -91.59 95.58 10.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 103.05 -2.945 . . . . 0.0 103.05 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m -78.3 63.66 3.25 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 125.304 3.684 . . . . 0.0 103.247 164.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -143.14 87.03 1.94 Allowed 'General case' 0 C--N 1.374 1.668 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.371 1.517 0 O-C-N 119.861 -1.774 . . . . 0.0 108.73 -178.621 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.92 -44.62 82.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.879 -1.763 . . . . 0.0 111.542 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -54.16 -47.57 71.83 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.529 -1.357 . . . . 0.0 111.408 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.96 -43.0 75.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.773 -1.205 . . . . 0.0 111.26 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.5 -53.37 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 120.904 -1.122 . . . . 0.0 109.348 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.28 -40.69 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 119.973 -1.704 . . . . 0.0 109.826 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -63.68 -79.85 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.046 -1.659 . . . . 0.0 109.447 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m -66.46 -65.42 0.68 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.022 -1.674 . . . . 0.0 109.098 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.38 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 119.854 -1.779 . . . . 0.0 110.797 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.68 -46.66 94.02 Favored Glycine 0 N--CA 1.48 1.575 0 O-C-N 119.564 -1.96 . . . . 0.0 112.012 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.04 -44.47 91.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 119.874 -1.956 . . . . 0.0 111.896 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.09 -49.58 73.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 119.723 -1.861 . . . . 0.0 110.089 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.27 -44.59 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.49 -1.381 . . . . 0.0 111.939 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -54.07 -47.92 71.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.525 -1.984 . . . . 0.0 109.762 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -69.81 -42.82 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.738 -1.226 . . . . 0.0 110.909 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -53.82 -40.18 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.507 -1.37 . . . . 0.0 111.621 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.0 mt -72.64 -46.01 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 119.57 -1.956 . . . . 0.0 111.295 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.23 -58.01 8.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.794 -1.816 . . . . 0.0 109.382 171.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -53.24 -49.4 66.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 122.429 1.109 . . . . 0.0 111.422 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.32 0.5 OUTLIER -69.0 -45.69 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.409 -1.432 . . . . 0.0 110.464 -173.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.63 -62.52 1.6 Allowed 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.488 -2.007 . . . . 0.0 111.022 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -65.3 -50.11 66.94 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.947 -1.096 . . . . 0.0 111.237 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -89.11 -50.65 6.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.546 1.138 . . . . 0.0 111.549 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -91.25 38.65 0.97 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.577 -1.327 . . . . 0.0 109.203 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -44.89 -58.53 3.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 119.08 -2.263 . . . . 0.0 111.936 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.374 1.673 0 O-C-N 120.038 -1.663 . . . . 0.0 110.886 -176.548 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 CA-C-O 121.865 0.703 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -58.7 -43.95 90.2 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.059 -1.848 . . . . 0.0 111.906 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.65 -49.57 74.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.649 -1.907 . . . . 0.0 109.992 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -53.25 -42.04 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.517 -1.364 . . . . 0.0 112.219 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -52.93 -48.59 67.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 119.506 -1.997 . . . . 0.0 109.986 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.58 -43.65 72.42 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.028 -1.045 . . . . 0.0 110.491 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -53.8 -46.21 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.547 -1.345 . . . . 0.0 111.354 170.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.95 -47.29 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 119.442 -2.036 . . . . 0.0 110.116 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.5 -57.53 10.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 119.955 -1.716 . . . . 0.0 110.621 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -56.38 -41.45 76.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.794 -1.192 . . . . 0.0 111.607 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.46 -53.6 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 124.267 1.984 . . . . 0.0 110.337 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.51 -34.28 77.44 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 117.205 -3.434 . . . . 0.0 109.67 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.86 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.36 1.03 0 CA-C-O 122.286 1.041 . . . . 0.0 108.903 164.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.79 93.61 8.94 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 101.83 -3.396 . . . . 0.0 101.83 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.491 1.587 0 CA-C-N 125.634 3.834 . . . . 0.0 104.112 174.761 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 CA-C-O 121.204 0.336 . . . . 0.0 113.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.28 -15.49 47.84 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.31 1.444 . . . . 0.0 112.953 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.16 -50.78 4.68 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 120.553 1.524 . . . . 0.0 110.383 164.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 t -52.08 -48.35 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 119.82 -1.8 . . . . 0.0 111.943 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.52 -35.26 52.85 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.284 -1.51 . . . . 0.0 111.894 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.94 -35.9 21.77 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 119.829 -1.795 . . . . 0.0 109.959 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.64 -45.18 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.288 -1.508 . . . . 0.0 109.74 164.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mm -67.08 -46.74 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 O-C-N 119.582 -1.949 . . . . 0.0 110.824 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -53.12 -56.62 14.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 119.653 -1.904 . . . . 0.0 110.485 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -58.13 -44.7 87.93 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.777 -1.202 . . . . 0.0 110.813 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.3 -48.92 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-O 123.601 1.667 . . . . 0.0 110.98 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.16 -34.87 73.54 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 117.265 -3.397 . . . . 0.0 110.229 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.91 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.359 0.994 0 CA-C-O 122.301 1.048 . . . . 0.0 109.08 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -91.35 95.2 9.87 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-N 125.315 3.689 . . . . 0.0 103.387 164.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.414 0 CA-C-O 122.432 1.018 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -41.61 -46.76 3.73 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 119.917 -1.931 . . . . 0.0 112.075 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.39 -31.67 70.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.097 -1.002 . . . . 0.0 113.598 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -45.22 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 122.237 2.289 . . . . 0.0 111.555 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.72 -40.27 87.43 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.334 -1.479 . . . . 0.0 111.216 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -72.74 -41.3 65.29 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.06 -1.65 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -53.7 -49.14 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 120.428 -1.42 . . . . 0.0 110.586 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.47 -49.69 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 119.711 -1.868 . . . . 0.0 110.626 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.03 -53.9 43.31 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.3 -1.5 . . . . 0.0 110.569 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 m -58.07 -50.84 72.06 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.242 -1.536 . . . . 0.0 110.336 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.05 -43.41 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 120.842 -1.161 . . . . 0.0 111.158 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -78.25 -55.03 5.58 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.283 -2.136 . . . . 0.0 111.901 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.46 -49.61 68.44 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.337 -1.477 . . . . 0.0 112.292 -173.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -89.09 -59.03 2.33 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.091 1.356 . . . . 0.0 109.708 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.491 1.617 0 O-C-N 120.403 -1.436 . . . . 0.0 109.49 -171.512 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 CA-C-O 121.672 0.596 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -58.24 -45.82 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.036 -1.861 . . . . 0.0 111.613 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -55.96 -49.77 72.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.897 -1.752 . . . . 0.0 110.082 171.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.29 -43.16 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 125.289 1.436 . . . . 0.0 112.062 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -53.12 -51.3 62.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.89 -1.756 . . . . 0.0 109.217 173.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.92 -45.3 74.74 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.219 -0.926 . . . . 0.0 110.422 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.78 -49.0 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.802 -1.186 . . . . 0.0 111.246 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.32 -42.89 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 119.832 -1.792 . . . . 0.0 110.665 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -53.32 -59.7 4.24 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 119.693 -1.879 . . . . 0.0 109.357 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.2 m -54.82 -48.5 72.74 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.062 -1.024 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.44 -50.04 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 123.454 1.597 . . . . 0.0 111.261 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -31.84 68.03 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 117.499 -3.251 . . . . 0.0 109.286 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -60.54 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -91.57 97.36 10.99 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-N 125.507 3.776 . . . . 0.0 103.906 166.212 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 121.066 0.259 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.72 -43.07 94.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 119.977 -1.896 . . . . 0.0 111.502 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.33 -52.45 65.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.476 -1.39 . . . . 0.0 109.452 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -52.47 -48.48 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 124.759 1.224 . . . . 0.0 110.651 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.54 -47.96 75.48 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 120.109 -1.62 . . . . 0.0 110.813 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -64.64 -45.25 87.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.732 -1.23 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.0 mt -53.82 -44.97 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.687 -1.258 . . . . 0.0 111.205 171.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.27 -48.45 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 119.408 -2.057 . . . . 0.0 110.429 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.34 -57.85 9.15 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.208 -1.557 . . . . 0.0 110.415 173.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -54.96 -42.95 72.99 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.983 -1.073 . . . . 0.0 111.146 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.83 -48.79 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 123.318 1.532 . . . . 0.0 110.91 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -70.14 -34.74 73.42 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.342 -3.349 . . . . 0.0 110.294 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.02 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 CA-C-O 122.213 1.006 . . . . 0.0 108.857 164.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.59 96.94 10.74 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 102.542 -3.132 . . . . 0.0 102.542 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-N 125.552 3.796 . . . . 0.0 103.385 165.324 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.355 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -59.87 -44.4 94.19 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.979 -1.895 . . . . 0.0 111.591 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.86 -49.73 74.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 119.872 -1.768 . . . . 0.0 110.063 171.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -53.44 -43.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 120.496 -1.378 . . . . 0.0 112.216 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -54.13 -49.06 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.543 -1.973 . . . . 0.0 109.404 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.08 -45.33 77.61 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.097 -1.002 . . . . 0.0 110.559 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.7 mt -53.75 -48.59 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.793 -1.192 . . . . 0.0 111.482 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.55 -44.29 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 119.533 -1.979 . . . . 0.0 110.561 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.31 -60.25 3.54 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 119.751 -1.843 . . . . 0.0 109.665 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -54.74 -44.8 73.88 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.07 -1.019 . . . . 0.0 111.334 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.21 -57.8 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-O 124.115 1.912 . . . . 0.0 110.506 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.39 -32.98 74.82 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.515 -3.241 . . . . 0.0 109.921 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.9 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.517 1.151 . . . . 0.0 108.423 164.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.91 92.87 8.53 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.491 1.596 0 CA-C-N 125.637 3.835 . . . . 0.0 103.681 172.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 113.631 0.212 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -63.85 -42.93 97.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.76 -2.023 . . . . 0.0 111.46 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -52.2 66.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.541 -1.349 . . . . 0.0 109.786 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 t -53.1 -47.35 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.027 1.331 . . . . 0.0 110.744 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.52 -49.17 73.31 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 120.198 -1.564 . . . . 0.0 110.048 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -61.53 -46.71 88.78 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.009 -1.057 . . . . 0.0 110.575 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.8 -47.31 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.836 -1.165 . . . . 0.0 111.545 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.16 -44.69 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 119.367 -2.083 . . . . 0.0 110.643 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.16 -63.29 1.19 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 119.986 -1.696 . . . . 0.0 108.972 169.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.1 m -49.93 -37.14 30.51 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.678 1.191 . . . . 0.0 112.895 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.65 -41.45 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.851 1.66 . . . . 0.0 112.398 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.55 -49.58 11.15 Favored 'General case' 0 N--CA 1.495 1.778 1 O-C-N 115.85 -4.281 . . . . 0.0 106.227 -175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.439 64.7 mttt -58.4 -87.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 1 CA-C-O 89.633 -14.508 . . . . 0.0 105.352 163.847 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -93.77 123.71 37.29 Favored 'General case' 0 C--N 1.307 -1.239 2 O-C-N 71.618 -31.927 . . . . 0.0 108.546 165.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.493 1.724 0 CA-C-N 125.635 3.834 . . . . 0.0 107.857 167.806 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 CA-C-O 121.348 0.416 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -70.56 -12.05 61.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 119.821 -1.987 . . . . 0.0 112.609 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -92.76 -41.85 9.9 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.148 2.249 . . . . 0.0 113.686 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.71 -41.52 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 119.644 -1.91 . . . . 0.0 112.707 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.54 -37.58 68.14 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 119.7 -1.875 . . . . 0.0 112.122 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -75.78 -40.53 55.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.984 -1.697 . . . . 0.0 109.577 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.5 -46.77 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.671 -1.268 . . . . 0.0 110.828 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.53 -45.32 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 119.26 -2.15 . . . . 0.0 110.894 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.5 -65.08 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.714 -1.241 . . . . 0.0 109.11 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -50.56 -44.09 56.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.767 0.827 . . . . 0.0 110.406 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.42 -63.9 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-O 124.53 2.11 . . . . 0.0 110.984 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.66 -30.22 70.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 117.391 -3.318 . . . . 0.0 110.885 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -62.57 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.895 -1.128 . . . . 0.0 108.895 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.76 91.8 8.12 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 101.597 -3.483 . . . . 0.0 101.597 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.516 0 CA-C-N 125.511 3.778 . . . . 0.0 104.478 173.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 121.429 0.46 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.59 -45.21 81.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.854 -1.969 . . . . 0.0 111.794 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.77 -49.58 74.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 119.855 -1.778 . . . . 0.0 110.014 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.6 t -53.31 -43.37 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 125.255 1.422 . . . . 0.0 112.052 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -53.65 -49.66 67.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.735 -1.853 . . . . 0.0 109.759 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -68.57 -44.28 74.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.112 -0.993 . . . . 0.0 110.601 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.3 mt -53.76 -47.29 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 120.634 -1.291 . . . . 0.0 111.194 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.46 -47.05 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.686 -1.884 . . . . 0.0 110.263 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.26 -57.86 9.08 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.086 -1.634 . . . . 0.0 110.027 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 m -55.22 -46.08 75.96 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.945 -1.097 . . . . 0.0 111.27 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.04 -49.36 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 123.61 1.672 . . . . 0.0 111.128 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -72.05 -32.83 67.47 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 117.428 -3.295 . . . . 0.0 109.726 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.46 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 164.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -91.73 99.24 12.16 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 103.166 -2.901 . . . . 0.0 103.166 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.489 1.504 0 CA-C-N 125.765 3.893 . . . . 0.0 102.415 164.9 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 CA-C-O 121.597 0.554 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 119.756 -2.026 . . . . 0.0 111.765 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.85 -49.16 74.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 119.938 -1.726 . . . . 0.0 109.861 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 t -53.2 -45.94 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.461 -1.399 . . . . 0.0 111.984 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -53.28 -49.48 66.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.674 -1.891 . . . . 0.0 109.671 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -67.17 -43.87 81.14 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.163 -0.961 . . . . 0.0 110.838 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.87 -46.98 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.363 -1.46 . . . . 0.0 111.348 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.36 -49.14 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 119.465 -2.022 . . . . 0.0 110.212 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -53.48 -58.27 7.74 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.306 -1.496 . . . . 0.0 110.501 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -54.86 -41.2 70.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.781 -1.199 . . . . 0.0 111.348 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.73 -53.51 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-O 123.985 1.85 . . . . 0.0 110.7 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -67.89 -31.52 71.36 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 117.285 -3.385 . . . . 0.0 110.224 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.06 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.359 0.996 0 CA-C-O 122.343 1.068 . . . . 0.0 108.303 164.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -91.91 95.02 9.59 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-N 125.659 3.845 . . . . 0.0 104.154 172.347 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.052 0 N-CA-C 113.797 0.279 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 74.9 m-20 -64.41 -16.19 61.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.27 -1.723 . . . . 0.0 112.393 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.1 mt -90.9 -55.05 3.71 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 120.653 1.57 . . . . 0.0 109.4 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.03 -48.33 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 119.886 -1.759 . . . . 0.0 112.476 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.77 -33.29 55.39 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.164 -1.585 . . . . 0.0 111.804 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 20.0 m95 -86.96 -35.92 18.59 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.756 -1.84 . . . . 0.0 109.701 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.0 mt -53.63 -44.76 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.465 -1.397 . . . . 0.0 110.005 164.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.93 -53.39 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.603 1.161 . . . . 0.0 110.274 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -53.06 -55.23 25.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 119.899 -1.751 . . . . 0.0 110.642 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -60.74 -39.1 87.43 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 120.634 -1.291 . . . . 0.0 111.18 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.6 -49.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 120.031 -1.668 . . . . 0.0 110.344 168.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -72.49 -32.18 65.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.459 -3.275 . . . . 0.0 110.574 -175.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.67 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.904 -1.123 . . . . 0.0 108.395 164.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -91.59 95.58 10.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 103.05 -2.945 . . . . 0.0 103.05 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-N 125.304 3.684 . . . . 0.0 103.247 164.707 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.04 -44.47 91.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 119.874 -1.956 . . . . 0.0 111.896 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.09 -49.58 73.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 119.723 -1.861 . . . . 0.0 110.089 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.27 -44.59 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.49 -1.381 . . . . 0.0 111.939 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -54.07 -47.92 71.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.525 -1.984 . . . . 0.0 109.762 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -69.81 -42.82 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.738 -1.226 . . . . 0.0 110.909 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -53.82 -40.18 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.507 -1.37 . . . . 0.0 111.621 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.577 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.0 mt -72.64 -46.01 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 119.57 -1.956 . . . . 0.0 111.295 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.23 -58.01 8.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.794 -1.816 . . . . 0.0 109.382 171.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -53.24 -49.4 66.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 122.429 1.109 . . . . 0.0 111.422 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 17' ' ' ILE 0.32 0.5 OUTLIER -69.0 -45.69 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.409 -1.432 . . . . 0.0 110.464 -173.594 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.63 -62.52 1.6 Allowed 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.488 -2.007 . . . . 0.0 111.022 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -65.3 -50.11 66.94 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.947 -1.096 . . . . 0.0 111.237 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -89.11 -50.65 6.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.546 1.138 . . . . 0.0 111.549 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.488 1.466 0 O-C-N 120.577 -1.327 . . . . 0.0 109.203 -171.673 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.99 -45.65 67.95 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 119.701 -1.874 . . . . 0.0 112.549 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -57.57 -41.84 81.91 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.297 -1.502 . . . . 0.0 111.89 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.42 -42.05 75.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.272 -1.518 . . . . 0.0 111.414 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.62 -47.08 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 120.563 -1.336 . . . . 0.0 109.838 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.66 -45.14 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.072 -1.643 . . . . 0.0 110.285 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.2 m -57.76 -47.32 82.84 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.13 -1.606 . . . . 0.0 111.289 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -60.2 -50.4 73.82 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 120.661 -1.274 . . . . 0.0 108.927 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.3 mt -55.54 -40.91 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 119.559 -1.963 . . . . 0.0 110.53 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.62 -48.69 75.14 Favored Glycine 0 N--CA 1.48 1.577 0 O-C-N 119.784 -1.823 . . . . 0.0 111.743 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -58.7 -43.95 90.2 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.059 -1.848 . . . . 0.0 111.906 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.65 -49.57 74.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.649 -1.907 . . . . 0.0 109.992 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -53.25 -42.04 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.517 -1.364 . . . . 0.0 112.219 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -52.93 -48.59 67.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 119.506 -1.997 . . . . 0.0 109.986 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.58 -43.65 72.42 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.028 -1.045 . . . . 0.0 110.491 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -53.8 -46.21 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.547 -1.345 . . . . 0.0 111.354 170.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.95 -47.29 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 119.442 -2.036 . . . . 0.0 110.116 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.5 -57.53 10.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 119.955 -1.716 . . . . 0.0 110.621 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -56.38 -41.45 76.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.794 -1.192 . . . . 0.0 111.607 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.46 -53.6 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 124.267 1.984 . . . . 0.0 110.337 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.51 -34.28 77.44 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 117.205 -3.434 . . . . 0.0 109.67 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.86 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.36 1.03 0 CA-C-O 122.286 1.041 . . . . 0.0 108.903 164.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.79 93.61 8.94 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 101.83 -3.396 . . . . 0.0 101.83 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -78.35 73.24 4.91 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 125.634 3.834 . . . . 0.0 104.112 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.4 mttt 66.17 80.7 0.22 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.695 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 C--N 1.375 1.703 0 O-C-N 120.732 -1.23 . . . . 0.0 108.611 -168.649 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.53 87.96 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 119.453 -2.03 . . . . 0.0 112.143 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -54.02 -46.65 71.87 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 120.694 -1.254 . . . . 0.0 111.14 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -42.32 75.54 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.621 -1.3 . . . . 0.0 110.945 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.11 -49.47 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.586 -1.321 . . . . 0.0 109.938 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.68 -47.68 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.144 -1.597 . . . . 0.0 109.997 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -53.3 -50.97 63.81 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 120.787 -1.196 . . . . 0.0 110.525 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.4 m -61.21 -47.45 86.04 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.817 -1.177 . . . . 0.0 109.495 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.4 mt -50.38 -53.26 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 120.231 -1.543 . . . . 0.0 109.053 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 -44.0 97.72 Favored Glycine 0 N--CA 1.488 2.133 0 O-C-N 120.369 -1.457 . . . . 0.0 113.338 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.28 -15.49 47.84 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.31 1.444 . . . . 0.0 112.953 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.16 -50.78 4.68 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 120.553 1.524 . . . . 0.0 110.383 164.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 t -52.08 -48.35 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 119.82 -1.8 . . . . 0.0 111.943 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.52 -35.26 52.85 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.284 -1.51 . . . . 0.0 111.894 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.94 -35.9 21.77 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 119.829 -1.795 . . . . 0.0 109.959 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.64 -45.18 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.288 -1.508 . . . . 0.0 109.74 164.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mm -67.08 -46.74 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 O-C-N 119.582 -1.949 . . . . 0.0 110.824 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -53.12 -56.62 14.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 119.653 -1.904 . . . . 0.0 110.485 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -58.13 -44.7 87.93 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.777 -1.202 . . . . 0.0 110.813 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.3 -48.92 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-O 123.601 1.667 . . . . 0.0 110.98 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.16 -34.87 73.54 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 117.265 -3.397 . . . . 0.0 110.229 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.91 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.359 0.994 0 CA-C-O 122.301 1.048 . . . . 0.0 109.08 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -91.35 95.2 9.87 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -78.11 67.34 3.92 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 125.315 3.689 . . . . 0.0 103.387 164.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -140.27 -150.75 0.33 Allowed 'General case' 0 C--N 1.371 1.522 0 C-N-CA 125.365 1.466 . . . . 0.0 107.796 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--N 1.374 1.631 0 O-C-N 118.277 -2.764 . . . . 0.0 111.157 164.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.96 61.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 127.999 2.52 . . . . 0.0 116.914 -164.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.277 41.0 mt-30 85.44 32.56 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 128.287 2.635 . . . . 0.0 110.856 -166.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 5' ' ' ILE . 29.1 m-20 62.72 65.27 0.84 Allowed 'General case' 0 C--N 1.376 1.735 1 N-CA-C 99.578 -4.231 . . . . 0.0 99.578 -163.254 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.515 HG23 ' HB ' ' A' ' 9' ' ' ILE 1.341 13.8 tt 19.99 112.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.404 2.954 1 CA-C-O 99.77 -9.681 . . . . 0.0 100.295 -162.336 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' C ' ' H ' ' A' ' 8' ' ' THR . 11.5 tt -52.75 131.12 14.51 Favored 'Isoleucine or valine' 0 C--N 1.385 2.123 2 CA-C-N 134.359 7.8 . . . . 0.0 115.479 -150.222 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m 30.94 -27.96 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.685 0 C-N-CA 130.861 3.664 . . . . 0.0 119.297 -164.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 6' ' ' ILE . 21.8 m -74.25 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.972 1 C-N-CA 139.514 7.125 . . . . 0.0 110.354 -164.649 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' HB ' HG23 ' A' ' 5' ' ' ILE 0.553 39.5 mt -62.27 -10.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.956 0 N-CA-C 103.884 -2.636 . . . . 0.0 103.884 164.055 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.9 -70.5 0.92 Allowed Glycine 0 N--CA 1.507 3.414 1 C-N-CA 112.724 -4.56 . . . . 0.0 113.089 163.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -41.61 -46.76 3.73 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 119.917 -1.931 . . . . 0.0 112.075 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.39 -31.67 70.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.097 -1.002 . . . . 0.0 113.598 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -45.22 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 122.237 2.289 . . . . 0.0 111.555 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.72 -40.27 87.43 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.334 -1.479 . . . . 0.0 111.216 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -72.74 -41.3 65.29 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.06 -1.65 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -53.7 -49.14 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 120.428 -1.42 . . . . 0.0 110.586 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.47 -49.69 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 119.711 -1.868 . . . . 0.0 110.626 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.03 -53.9 43.31 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.3 -1.5 . . . . 0.0 110.569 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 m -58.07 -50.84 72.06 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.242 -1.536 . . . . 0.0 110.336 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.05 -43.41 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 120.842 -1.161 . . . . 0.0 111.158 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -78.25 -55.03 5.58 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.283 -2.136 . . . . 0.0 111.901 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.46 -49.61 68.44 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.337 -1.477 . . . . 0.0 112.292 -173.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -89.09 -59.03 2.33 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.091 1.356 . . . . 0.0 109.708 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m -83.21 46.26 1.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.403 -1.436 . . . . 0.0 109.49 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.87 -38.32 61.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 118.487 -2.633 . . . . 0.0 111.954 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 C--N 1.375 1.716 0 CA-C-N 121.271 1.85 . . . . 0.0 109.223 -171.726 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.09 79.93 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 119.637 -1.915 . . . . 0.0 112.435 -168.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.16 -41.98 76.3 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.563 -1.335 . . . . 0.0 111.952 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -74.37 -40.28 62.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.27 -1.519 . . . . 0.0 111.515 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.91 -48.36 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.546 -1.346 . . . . 0.0 109.717 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.7 -45.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 120.274 -1.516 . . . . 0.0 110.227 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -57.47 -48.83 78.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.218 -1.551 . . . . 0.0 111.172 175.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -61.07 -52.74 63.64 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.75 -1.219 . . . . 0.0 109.086 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -56.07 -42.43 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 119.674 -1.891 . . . . 0.0 110.338 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.17 -48.46 74.23 Favored Glycine 0 N--CA 1.478 1.495 0 O-C-N 119.887 -1.758 . . . . 0.0 111.762 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -58.24 -45.82 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.036 -1.861 . . . . 0.0 111.613 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -55.96 -49.77 72.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.897 -1.752 . . . . 0.0 110.082 171.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.29 -43.16 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 125.289 1.436 . . . . 0.0 112.062 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -53.12 -51.3 62.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.89 -1.756 . . . . 0.0 109.217 173.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.92 -45.3 74.74 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.219 -0.926 . . . . 0.0 110.422 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.78 -49.0 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.802 -1.186 . . . . 0.0 111.246 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.32 -42.89 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 119.832 -1.792 . . . . 0.0 110.665 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -53.32 -59.7 4.24 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 119.693 -1.879 . . . . 0.0 109.357 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.2 m -54.82 -48.5 72.74 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.062 -1.024 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.44 -50.04 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 123.454 1.597 . . . . 0.0 111.261 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -31.84 68.03 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 117.499 -3.251 . . . . 0.0 109.286 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -60.54 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -91.57 97.36 10.99 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.4 m -78.2 65.16 3.5 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 125.507 3.776 . . . . 0.0 103.906 166.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 55.18 -144.15 0.7 Allowed 'General case' 0 C--N 1.374 1.635 0 O-C-N 121.382 -0.824 . . . . 0.0 110.475 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--N 1.372 1.563 0 O-C-N 118.622 -2.549 . . . . 0.0 111.179 166.349 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.51 85.03 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 119.439 -2.038 . . . . 0.0 112.229 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -56.07 -43.84 78.33 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.519 -1.363 . . . . 0.0 111.555 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.21 -42.65 75.44 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.451 -1.406 . . . . 0.0 110.849 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.98 -47.3 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.549 -1.344 . . . . 0.0 110.106 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.74 -47.17 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 120.182 -1.574 . . . . 0.0 109.915 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -55.97 -50.02 71.96 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.564 -1.335 . . . . 0.0 110.864 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -57.9 -54.15 50.2 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.845 -1.159 . . . . 0.0 108.544 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -54.1 -44.24 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 119.777 -1.827 . . . . 0.0 110.72 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.09 92.71 Favored Glycine 0 N--CA 1.481 1.697 0 O-C-N 119.961 -1.712 . . . . 0.0 113.06 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.72 -43.07 94.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 119.977 -1.896 . . . . 0.0 111.502 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.33 -52.45 65.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.476 -1.39 . . . . 0.0 109.452 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -52.47 -48.48 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 124.759 1.224 . . . . 0.0 110.651 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.54 -47.96 75.48 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 120.109 -1.62 . . . . 0.0 110.813 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -64.64 -45.25 87.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.732 -1.23 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.0 mt -53.82 -44.97 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.687 -1.258 . . . . 0.0 111.205 171.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.27 -48.45 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 119.408 -2.057 . . . . 0.0 110.429 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.34 -57.85 9.15 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.208 -1.557 . . . . 0.0 110.415 173.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -54.96 -42.95 72.99 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.983 -1.073 . . . . 0.0 111.146 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.83 -48.79 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 123.318 1.532 . . . . 0.0 110.91 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -70.14 -34.74 73.42 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.342 -3.349 . . . . 0.0 110.294 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.02 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 CA-C-O 122.213 1.006 . . . . 0.0 108.857 164.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.59 96.94 10.74 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 102.542 -3.132 . . . . 0.0 102.542 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -78.12 67.28 3.91 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 125.552 3.796 . . . . 0.0 103.385 165.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -141.3 -150.94 0.34 Allowed 'General case' 0 C--N 1.371 1.522 0 C-N-CA 125.263 1.425 . . . . 0.0 108.033 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.374 1.652 0 O-C-N 118.313 -2.742 . . . . 0.0 111.157 165.616 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mtp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.11 -44.58 67.78 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.66 -1.9 . . . . 0.0 112.281 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -56.66 -41.99 78.17 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.339 -1.476 . . . . 0.0 111.954 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.95 -42.1 73.66 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.132 -1.605 . . . . 0.0 111.644 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.74 -49.05 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.519 -1.363 . . . . 0.0 109.753 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.68 -42.15 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.35 -1.469 . . . . 0.0 110.31 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.98 -45.9 91.19 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.051 -1.656 . . . . 0.0 111.302 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.5 m -62.1 -53.15 59.55 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.547 -1.346 . . . . 0.0 109.105 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.0 mt -54.66 -43.56 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 119.617 -1.927 . . . . 0.0 110.026 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.24 -45.88 81.17 Favored Glycine 0 N--CA 1.476 1.355 0 O-C-N 120.188 -1.57 . . . . 0.0 111.851 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -59.87 -44.4 94.19 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.979 -1.895 . . . . 0.0 111.591 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.86 -49.73 74.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 119.872 -1.768 . . . . 0.0 110.063 171.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -53.44 -43.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 120.496 -1.378 . . . . 0.0 112.216 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -54.13 -49.06 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.543 -1.973 . . . . 0.0 109.404 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.08 -45.33 77.61 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.097 -1.002 . . . . 0.0 110.559 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.7 mt -53.75 -48.59 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.793 -1.192 . . . . 0.0 111.482 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.55 -44.29 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 119.533 -1.979 . . . . 0.0 110.561 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.31 -60.25 3.54 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 119.751 -1.843 . . . . 0.0 109.665 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -54.74 -44.8 73.88 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.07 -1.019 . . . . 0.0 111.334 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.21 -57.8 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-O 124.115 1.912 . . . . 0.0 110.506 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.39 -32.98 74.82 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.515 -3.241 . . . . 0.0 109.921 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.9 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.517 1.151 . . . . 0.0 108.423 164.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.91 92.87 8.53 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m -78.31 69.92 4.59 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 125.637 3.835 . . . . 0.0 103.681 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.19 136.62 58.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.75 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 C--N 1.368 1.402 0 O-C-N 120.275 -1.516 . . . . 0.0 110.905 177.65 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.26 52.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 119.574 -1.953 . . . . 0.0 112.295 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.93 -44.79 64.05 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.949 -1.719 . . . . 0.0 111.865 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.73 -37.0 67.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.42 -1.425 . . . . 0.0 111.471 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -57.39 -51.43 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.107 -1.621 . . . . 0.0 109.036 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.52 -54.24 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.029 -1.67 . . . . 0.0 109.376 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -67.44 -81.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.792 -1.192 . . . . 0.0 109.735 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.2 m -64.16 -61.26 2.37 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.272 -1.518 . . . . 0.0 108.777 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.45 -41.24 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 121.261 1.846 . . . . 0.0 110.45 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.77 91.3 Favored Glycine 0 N--CA 1.482 1.716 0 O-C-N 119.39 -2.069 . . . . 0.0 113.631 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -63.85 -42.93 97.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.76 -2.023 . . . . 0.0 111.46 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -52.2 66.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.541 -1.349 . . . . 0.0 109.786 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 t -53.1 -47.35 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.027 1.331 . . . . 0.0 110.744 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.52 -49.17 73.31 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 120.198 -1.564 . . . . 0.0 110.048 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -61.53 -46.71 88.78 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.009 -1.057 . . . . 0.0 110.575 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.8 -47.31 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.836 -1.165 . . . . 0.0 111.545 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.16 -44.69 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 119.367 -2.083 . . . . 0.0 110.643 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.16 -63.29 1.19 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 119.986 -1.696 . . . . 0.0 108.972 169.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.1 m -49.93 -37.14 30.51 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.678 1.191 . . . . 0.0 112.895 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.65 -41.45 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.851 1.66 . . . . 0.0 112.398 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.55 -49.58 11.15 Favored 'General case' 0 N--CA 1.495 1.778 1 O-C-N 115.85 -4.281 . . . . 0.0 106.227 -175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.439 64.7 mttt -58.4 -87.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 1 CA-C-O 89.633 -14.508 . . . . 0.0 105.352 163.847 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -93.77 123.71 37.29 Favored 'General case' 0 C--N 1.307 -1.239 2 O-C-N 71.618 -31.927 . . . . 0.0 108.546 165.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -78.34 65.51 3.69 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 125.635 3.834 . . . . 0.0 107.857 167.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -152.41 -58.37 0.14 Allowed 'General case' 0 C--N 1.375 1.712 0 C-N-CA 123.866 0.866 . . . . 0.0 109.555 164.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.372 1.581 0 O-C-N 119.843 -1.786 . . . . 0.0 109.31 -172.799 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' CA ' ' HB ' ' A' ' 5' ' ' ILE . 83.9 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . -51.0 124.66 11.82 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 116.649 -3.782 . . . . 0.0 109.55 -161.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -9.65 24.52 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.14 1 C-N-CA 134.114 4.966 . . . . 0.0 118.744 -164.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 2' ' ' ALA . 16.4 m-20 -162.11 -40.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 O-C-N 117.353 -3.342 . . . . 0.0 109.93 -163.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' HB ' ' CA ' ' A' ' 1' ' ' MET . 4.9 mt -63.47 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 N-CA-C 102.582 -3.118 . . . . 0.0 102.582 162.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.17 -76.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 164.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -53.64 -71.69 0.07 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.479 -1.388 . . . . 0.0 111.566 -168.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 m -65.77 -66.57 0.53 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.452 -2.03 . . . . 0.0 108.591 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.301 96.3 mt -60.31 -40.53 84.15 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 O-C-N 119.57 -1.956 . . . . 0.0 110.734 -170.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.32 -44.81 96.36 Favored Glycine 0 N--CA 1.484 1.846 0 O-C-N 119.407 -2.058 . . . . 0.0 113.683 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -70.56 -12.05 61.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 119.821 -1.987 . . . . 0.0 112.609 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -92.76 -41.85 9.9 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.148 2.249 . . . . 0.0 113.686 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.71 -41.52 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 119.644 -1.91 . . . . 0.0 112.707 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.54 -37.58 68.14 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 119.7 -1.875 . . . . 0.0 112.122 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -75.78 -40.53 55.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.984 -1.697 . . . . 0.0 109.577 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.5 -46.77 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.671 -1.268 . . . . 0.0 110.828 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.53 -45.32 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 119.26 -2.15 . . . . 0.0 110.894 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.5 -65.08 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.714 -1.241 . . . . 0.0 109.11 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -50.56 -44.09 56.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.767 0.827 . . . . 0.0 110.406 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.42 -63.9 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-O 124.53 2.11 . . . . 0.0 110.984 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.66 -30.22 70.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 117.391 -3.318 . . . . 0.0 110.885 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -62.57 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.895 -1.128 . . . . 0.0 108.895 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.76 91.8 8.12 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 101.597 -3.483 . . . . 0.0 101.597 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m -77.81 73.14 4.38 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 125.511 3.778 . . . . 0.0 104.478 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.21 144.9 52.88 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.721 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--N 1.371 1.513 0 O-C-N 119.826 -1.796 . . . . 0.0 108.717 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.92 61.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.273 -2.142 . . . . 0.0 113.138 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -54.81 -40.18 69.27 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.125 -1.609 . . . . 0.0 112.067 171.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.61 -35.53 52.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.69 -1.256 . . . . 0.0 111.932 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.98 -52.81 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 O-C-N 120.111 -1.618 . . . . 0.0 108.312 169.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.3 -51.82 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.096 -1.628 . . . . 0.0 109.477 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m -70.09 -78.66 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.556 -1.34 . . . . 0.0 109.801 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 m -68.13 -59.16 3.44 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.423 -1.423 . . . . 0.0 108.943 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -59.78 -39.68 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 121.44 1.927 . . . . 0.0 110.407 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.63 -47.91 74.52 Favored Glycine 0 N--CA 1.481 1.641 0 O-C-N 119.425 -2.047 . . . . 0.0 112.331 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.59 -45.21 81.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.854 -1.969 . . . . 0.0 111.794 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.77 -49.58 74.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 119.855 -1.778 . . . . 0.0 110.014 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.6 t -53.31 -43.37 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 125.255 1.422 . . . . 0.0 112.052 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -53.65 -49.66 67.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.735 -1.853 . . . . 0.0 109.759 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -68.57 -44.28 74.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.112 -0.993 . . . . 0.0 110.601 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.3 mt -53.76 -47.29 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 120.634 -1.291 . . . . 0.0 111.194 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.46 -47.05 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.686 -1.884 . . . . 0.0 110.263 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.26 -57.86 9.08 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.086 -1.634 . . . . 0.0 110.027 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 m -55.22 -46.08 75.96 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.945 -1.097 . . . . 0.0 111.27 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.04 -49.36 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 123.61 1.672 . . . . 0.0 111.128 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -72.05 -32.83 67.47 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 117.428 -3.295 . . . . 0.0 109.726 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.46 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 164.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -91.73 99.24 12.16 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 103.166 -2.901 . . . . 0.0 103.166 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.4 m -78.12 72.83 4.67 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 125.765 3.893 . . . . 0.0 102.415 164.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 82.03 140.34 0.07 Allowed 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.142 2.177 . . . . 0.0 110.145 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 C--N 1.373 1.615 0 O-C-N 120.045 -1.66 . . . . 0.0 108.993 -179.498 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.6 mtp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.1 -46.35 72.09 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 119.671 -1.893 . . . . 0.0 112.298 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -56.31 -45.21 80.38 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.395 -1.441 . . . . 0.0 111.356 175.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.93 -42.26 90.31 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.365 -1.459 . . . . 0.0 111.5 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.11 -45.66 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 O-C-N 120.495 -1.378 . . . . 0.0 110.115 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -46.07 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 119.999 -1.688 . . . . 0.0 110.214 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.0 m -57.67 -46.32 84.42 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.205 -1.559 . . . . 0.0 111.437 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.2 m -60.48 -50.02 75.22 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.611 -1.306 . . . . 0.0 109.097 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.5 mt -55.71 -43.37 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 119.407 -2.058 . . . . 0.0 110.309 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.57 -46.03 89.05 Favored Glycine 0 N--CA 1.478 1.486 0 O-C-N 119.924 -1.735 . . . . 0.0 111.932 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 119.756 -2.026 . . . . 0.0 111.765 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.85 -49.16 74.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 119.938 -1.726 . . . . 0.0 109.861 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 t -53.2 -45.94 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.461 -1.399 . . . . 0.0 111.984 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -53.28 -49.48 66.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.674 -1.891 . . . . 0.0 109.671 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -67.17 -43.87 81.14 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.163 -0.961 . . . . 0.0 110.838 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.87 -46.98 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.363 -1.46 . . . . 0.0 111.348 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.36 -49.14 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 119.465 -2.022 . . . . 0.0 110.212 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -53.48 -58.27 7.74 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.306 -1.496 . . . . 0.0 110.501 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -54.86 -41.2 70.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.781 -1.199 . . . . 0.0 111.348 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.73 -53.51 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-O 123.985 1.85 . . . . 0.0 110.7 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -67.89 -31.52 71.36 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 117.285 -3.385 . . . . 0.0 110.224 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.06 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.359 0.996 0 CA-C-O 122.343 1.068 . . . . 0.0 108.303 164.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -91.91 95.02 9.59 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -78.08 73.7 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 125.659 3.845 . . . . 0.0 104.154 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 74.01 0.08 Allowed 'General case' 0 C--N 1.367 1.367 0 CA-C-N 114.425 -1.261 . . . . 0.0 107.93 169.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.486 1.332 0 O-C-N 119.851 -1.781 . . . . 0.0 110.329 -178.374 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mtp . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.93 62.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 119.175 -2.203 . . . . 0.0 112.899 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -53.8 -41.27 67.12 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.385 -1.447 . . . . 0.0 111.967 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.85 -35.05 51.47 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.793 -1.192 . . . . 0.0 112.182 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.12 -53.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.044 -1.66 . . . . 0.0 108.528 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.23 -52.66 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.015 -1.678 . . . . 0.0 108.778 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m -67.97 -83.7 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.197 -0.939 . . . . 0.0 109.537 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.8 m -66.52 -55.14 16.89 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 119.381 -2.074 . . . . 0.0 109.219 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.25 51.2 mt -59.44 -47.45 90.67 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 CA-C-N 120.805 1.638 . . . . 0.0 109.675 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.8 98.79 Favored Glycine 0 N--CA 1.487 2.052 0 O-C-N 119.892 -1.755 . . . . 0.0 113.797 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 74.9 m-20 -64.41 -16.19 61.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.27 -1.723 . . . . 0.0 112.393 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.1 mt -90.9 -55.05 3.71 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 120.653 1.57 . . . . 0.0 109.4 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.03 -48.33 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 119.886 -1.759 . . . . 0.0 112.476 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.77 -33.29 55.39 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.164 -1.585 . . . . 0.0 111.804 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 20.0 m95 -86.96 -35.92 18.59 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.756 -1.84 . . . . 0.0 109.701 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.0 mt -53.63 -44.76 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.465 -1.397 . . . . 0.0 110.005 164.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.93 -53.39 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.603 1.161 . . . . 0.0 110.274 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -53.06 -55.23 25.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 119.899 -1.751 . . . . 0.0 110.642 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -60.74 -39.1 87.43 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 120.634 -1.291 . . . . 0.0 111.18 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.6 -49.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 120.031 -1.668 . . . . 0.0 110.344 168.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -72.49 -32.18 65.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.459 -3.275 . . . . 0.0 110.574 -175.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.67 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.904 -1.123 . . . . 0.0 108.395 164.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -91.59 95.58 10.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 103.05 -2.945 . . . . 0.0 103.05 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m -78.3 63.66 3.25 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 125.304 3.684 . . . . 0.0 103.247 164.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -143.14 87.03 1.94 Allowed 'General case' 0 C--N 1.374 1.668 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.371 1.517 0 O-C-N 119.861 -1.774 . . . . 0.0 108.73 -178.621 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.92 -44.62 82.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.879 -1.763 . . . . 0.0 111.542 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -54.16 -47.57 71.83 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.529 -1.357 . . . . 0.0 111.408 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.96 -43.0 75.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.773 -1.205 . . . . 0.0 111.26 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.5 -53.37 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 120.904 -1.122 . . . . 0.0 109.348 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.28 -40.69 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 119.973 -1.704 . . . . 0.0 109.826 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -63.68 -79.85 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.046 -1.659 . . . . 0.0 109.447 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m -66.46 -65.42 0.68 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.022 -1.674 . . . . 0.0 109.098 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.38 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 119.854 -1.779 . . . . 0.0 110.797 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.68 -46.66 94.02 Favored Glycine 0 N--CA 1.48 1.575 0 O-C-N 119.564 -1.96 . . . . 0.0 112.012 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.04 -44.47 91.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 119.874 -1.956 . . . . 0.0 111.896 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.09 -49.58 73.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 119.723 -1.861 . . . . 0.0 110.089 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.27 -44.59 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.49 -1.381 . . . . 0.0 111.939 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -54.07 -47.92 71.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.525 -1.984 . . . . 0.0 109.762 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -69.81 -42.82 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.738 -1.226 . . . . 0.0 110.909 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -53.82 -40.18 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.507 -1.37 . . . . 0.0 111.621 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.577 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.0 mt -72.64 -46.01 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 119.57 -1.956 . . . . 0.0 111.295 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.23 -58.01 8.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.794 -1.816 . . . . 0.0 109.382 171.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -53.24 -49.4 66.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 122.429 1.109 . . . . 0.0 111.422 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 17' ' ' ILE 0.32 0.5 OUTLIER -69.0 -45.69 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.409 -1.432 . . . . 0.0 110.464 -173.594 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.63 -62.52 1.6 Allowed 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.488 -2.007 . . . . 0.0 111.022 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -65.3 -50.11 66.94 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.947 -1.096 . . . . 0.0 111.237 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -89.11 -50.65 6.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.546 1.138 . . . . 0.0 111.549 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -91.25 38.65 0.97 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.577 -1.327 . . . . 0.0 109.203 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -44.89 -58.53 3.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 119.08 -2.263 . . . . 0.0 111.936 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.374 1.673 0 O-C-N 120.038 -1.663 . . . . 0.0 110.886 -176.548 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 CA-C-O 121.865 0.703 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -58.7 -43.95 90.2 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.059 -1.848 . . . . 0.0 111.906 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.65 -49.57 74.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.649 -1.907 . . . . 0.0 109.992 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -53.25 -42.04 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.517 -1.364 . . . . 0.0 112.219 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -52.93 -48.59 67.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 119.506 -1.997 . . . . 0.0 109.986 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.58 -43.65 72.42 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.028 -1.045 . . . . 0.0 110.491 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -53.8 -46.21 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.547 -1.345 . . . . 0.0 111.354 170.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.95 -47.29 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 119.442 -2.036 . . . . 0.0 110.116 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.5 -57.53 10.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 119.955 -1.716 . . . . 0.0 110.621 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -56.38 -41.45 76.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.794 -1.192 . . . . 0.0 111.607 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.46 -53.6 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 124.267 1.984 . . . . 0.0 110.337 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.51 -34.28 77.44 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 117.205 -3.434 . . . . 0.0 109.67 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.86 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.36 1.03 0 CA-C-O 122.286 1.041 . . . . 0.0 108.903 164.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.79 93.61 8.94 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 101.83 -3.396 . . . . 0.0 101.83 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.491 1.587 0 CA-C-N 125.634 3.834 . . . . 0.0 104.112 174.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 CA-C-O 121.204 0.336 . . . . 0.0 113.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.28 -15.49 47.84 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.31 1.444 . . . . 0.0 112.953 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.16 -50.78 4.68 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 120.553 1.524 . . . . 0.0 110.383 164.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 t -52.08 -48.35 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 119.82 -1.8 . . . . 0.0 111.943 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.52 -35.26 52.85 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.284 -1.51 . . . . 0.0 111.894 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.94 -35.9 21.77 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 119.829 -1.795 . . . . 0.0 109.959 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.64 -45.18 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.288 -1.508 . . . . 0.0 109.74 164.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mm -67.08 -46.74 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 O-C-N 119.582 -1.949 . . . . 0.0 110.824 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -53.12 -56.62 14.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 119.653 -1.904 . . . . 0.0 110.485 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -58.13 -44.7 87.93 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.777 -1.202 . . . . 0.0 110.813 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.3 -48.92 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-O 123.601 1.667 . . . . 0.0 110.98 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.16 -34.87 73.54 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 117.265 -3.397 . . . . 0.0 110.229 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.91 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.359 0.994 0 CA-C-O 122.301 1.048 . . . . 0.0 109.08 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -91.35 95.2 9.87 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-N 125.315 3.689 . . . . 0.0 103.387 164.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.414 0 CA-C-O 122.432 1.018 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -41.61 -46.76 3.73 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 119.917 -1.931 . . . . 0.0 112.075 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.39 -31.67 70.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.097 -1.002 . . . . 0.0 113.598 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -45.22 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 122.237 2.289 . . . . 0.0 111.555 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.72 -40.27 87.43 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.334 -1.479 . . . . 0.0 111.216 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -72.74 -41.3 65.29 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.06 -1.65 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -53.7 -49.14 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 120.428 -1.42 . . . . 0.0 110.586 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.47 -49.69 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 119.711 -1.868 . . . . 0.0 110.626 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.03 -53.9 43.31 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.3 -1.5 . . . . 0.0 110.569 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 m -58.07 -50.84 72.06 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.242 -1.536 . . . . 0.0 110.336 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.05 -43.41 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 120.842 -1.161 . . . . 0.0 111.158 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -78.25 -55.03 5.58 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.283 -2.136 . . . . 0.0 111.901 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.46 -49.61 68.44 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.337 -1.477 . . . . 0.0 112.292 -173.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -89.09 -59.03 2.33 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.091 1.356 . . . . 0.0 109.708 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.491 1.617 0 O-C-N 120.403 -1.436 . . . . 0.0 109.49 -171.512 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 CA-C-O 121.672 0.596 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -58.24 -45.82 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.036 -1.861 . . . . 0.0 111.613 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -55.96 -49.77 72.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.897 -1.752 . . . . 0.0 110.082 171.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.29 -43.16 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 125.289 1.436 . . . . 0.0 112.062 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -53.12 -51.3 62.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.89 -1.756 . . . . 0.0 109.217 173.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.92 -45.3 74.74 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.219 -0.926 . . . . 0.0 110.422 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.78 -49.0 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.802 -1.186 . . . . 0.0 111.246 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.32 -42.89 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 119.832 -1.792 . . . . 0.0 110.665 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -53.32 -59.7 4.24 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 119.693 -1.879 . . . . 0.0 109.357 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.2 m -54.82 -48.5 72.74 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.062 -1.024 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.44 -50.04 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 123.454 1.597 . . . . 0.0 111.261 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -31.84 68.03 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 117.499 -3.251 . . . . 0.0 109.286 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -60.54 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -91.57 97.36 10.99 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-N 125.507 3.776 . . . . 0.0 103.906 166.212 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 121.066 0.259 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.72 -43.07 94.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 119.977 -1.896 . . . . 0.0 111.502 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.33 -52.45 65.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.476 -1.39 . . . . 0.0 109.452 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -52.47 -48.48 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 124.759 1.224 . . . . 0.0 110.651 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.54 -47.96 75.48 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 120.109 -1.62 . . . . 0.0 110.813 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -64.64 -45.25 87.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.732 -1.23 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.0 mt -53.82 -44.97 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.687 -1.258 . . . . 0.0 111.205 171.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.27 -48.45 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 119.408 -2.057 . . . . 0.0 110.429 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.34 -57.85 9.15 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.208 -1.557 . . . . 0.0 110.415 173.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -54.96 -42.95 72.99 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.983 -1.073 . . . . 0.0 111.146 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.83 -48.79 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 123.318 1.532 . . . . 0.0 110.91 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -70.14 -34.74 73.42 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.342 -3.349 . . . . 0.0 110.294 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.02 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 CA-C-O 122.213 1.006 . . . . 0.0 108.857 164.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.59 96.94 10.74 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 102.542 -3.132 . . . . 0.0 102.542 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-N 125.552 3.796 . . . . 0.0 103.385 165.324 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.355 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -59.87 -44.4 94.19 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.979 -1.895 . . . . 0.0 111.591 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.86 -49.73 74.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 119.872 -1.768 . . . . 0.0 110.063 171.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -53.44 -43.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 120.496 -1.378 . . . . 0.0 112.216 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -54.13 -49.06 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.543 -1.973 . . . . 0.0 109.404 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.08 -45.33 77.61 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.097 -1.002 . . . . 0.0 110.559 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.7 mt -53.75 -48.59 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.793 -1.192 . . . . 0.0 111.482 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.55 -44.29 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 119.533 -1.979 . . . . 0.0 110.561 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.31 -60.25 3.54 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 119.751 -1.843 . . . . 0.0 109.665 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -54.74 -44.8 73.88 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.07 -1.019 . . . . 0.0 111.334 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.21 -57.8 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-O 124.115 1.912 . . . . 0.0 110.506 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.39 -32.98 74.82 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.515 -3.241 . . . . 0.0 109.921 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.9 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.517 1.151 . . . . 0.0 108.423 164.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.91 92.87 8.53 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.491 1.596 0 CA-C-N 125.637 3.835 . . . . 0.0 103.681 172.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 113.631 0.212 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -63.85 -42.93 97.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.76 -2.023 . . . . 0.0 111.46 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -52.2 66.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.541 -1.349 . . . . 0.0 109.786 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 t -53.1 -47.35 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.027 1.331 . . . . 0.0 110.744 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.52 -49.17 73.31 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 120.198 -1.564 . . . . 0.0 110.048 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -61.53 -46.71 88.78 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.009 -1.057 . . . . 0.0 110.575 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.8 -47.31 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.836 -1.165 . . . . 0.0 111.545 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.16 -44.69 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 119.367 -2.083 . . . . 0.0 110.643 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.16 -63.29 1.19 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 119.986 -1.696 . . . . 0.0 108.972 169.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.1 m -49.93 -37.14 30.51 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.678 1.191 . . . . 0.0 112.895 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.65 -41.45 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.851 1.66 . . . . 0.0 112.398 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.55 -49.58 11.15 Favored 'General case' 0 N--CA 1.495 1.778 1 O-C-N 115.85 -4.281 . . . . 0.0 106.227 -175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.439 64.7 mttt -58.4 -87.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 1 CA-C-O 89.633 -14.508 . . . . 0.0 105.352 163.847 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -93.77 123.71 37.29 Favored 'General case' 0 C--N 1.307 -1.239 2 O-C-N 71.618 -31.927 . . . . 0.0 108.546 165.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.493 1.724 0 CA-C-N 125.635 3.834 . . . . 0.0 107.857 167.806 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 CA-C-O 121.348 0.416 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -70.56 -12.05 61.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 119.821 -1.987 . . . . 0.0 112.609 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -92.76 -41.85 9.9 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.148 2.249 . . . . 0.0 113.686 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.71 -41.52 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 119.644 -1.91 . . . . 0.0 112.707 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.54 -37.58 68.14 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 119.7 -1.875 . . . . 0.0 112.122 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -75.78 -40.53 55.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.984 -1.697 . . . . 0.0 109.577 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.5 -46.77 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.671 -1.268 . . . . 0.0 110.828 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.53 -45.32 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 119.26 -2.15 . . . . 0.0 110.894 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.5 -65.08 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.714 -1.241 . . . . 0.0 109.11 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -50.56 -44.09 56.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.767 0.827 . . . . 0.0 110.406 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.42 -63.9 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-O 124.53 2.11 . . . . 0.0 110.984 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.66 -30.22 70.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 117.391 -3.318 . . . . 0.0 110.885 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -62.57 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.895 -1.128 . . . . 0.0 108.895 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.76 91.8 8.12 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 101.597 -3.483 . . . . 0.0 101.597 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.516 0 CA-C-N 125.511 3.778 . . . . 0.0 104.478 173.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 121.429 0.46 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.59 -45.21 81.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.854 -1.969 . . . . 0.0 111.794 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.77 -49.58 74.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 119.855 -1.778 . . . . 0.0 110.014 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.6 t -53.31 -43.37 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 125.255 1.422 . . . . 0.0 112.052 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -53.65 -49.66 67.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.735 -1.853 . . . . 0.0 109.759 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -68.57 -44.28 74.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.112 -0.993 . . . . 0.0 110.601 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.3 mt -53.76 -47.29 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 120.634 -1.291 . . . . 0.0 111.194 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.46 -47.05 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.686 -1.884 . . . . 0.0 110.263 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.26 -57.86 9.08 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.086 -1.634 . . . . 0.0 110.027 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 m -55.22 -46.08 75.96 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.945 -1.097 . . . . 0.0 111.27 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.04 -49.36 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 123.61 1.672 . . . . 0.0 111.128 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -72.05 -32.83 67.47 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 117.428 -3.295 . . . . 0.0 109.726 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.46 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 164.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -91.73 99.24 12.16 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 103.166 -2.901 . . . . 0.0 103.166 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.489 1.504 0 CA-C-N 125.765 3.893 . . . . 0.0 102.415 164.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 CA-C-O 121.597 0.554 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 119.756 -2.026 . . . . 0.0 111.765 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.85 -49.16 74.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 119.938 -1.726 . . . . 0.0 109.861 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 t -53.2 -45.94 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.461 -1.399 . . . . 0.0 111.984 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -53.28 -49.48 66.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.674 -1.891 . . . . 0.0 109.671 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -67.17 -43.87 81.14 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.163 -0.961 . . . . 0.0 110.838 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.87 -46.98 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.363 -1.46 . . . . 0.0 111.348 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.36 -49.14 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 119.465 -2.022 . . . . 0.0 110.212 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -53.48 -58.27 7.74 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.306 -1.496 . . . . 0.0 110.501 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -54.86 -41.2 70.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.781 -1.199 . . . . 0.0 111.348 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.73 -53.51 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-O 123.985 1.85 . . . . 0.0 110.7 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -67.89 -31.52 71.36 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 117.285 -3.385 . . . . 0.0 110.224 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.06 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.359 0.996 0 CA-C-O 122.343 1.068 . . . . 0.0 108.303 164.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -91.91 95.02 9.59 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-N 125.659 3.845 . . . . 0.0 104.154 172.347 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.052 0 N-CA-C 113.797 0.279 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 74.9 m-20 -64.41 -16.19 61.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.27 -1.723 . . . . 0.0 112.393 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.1 mt -90.9 -55.05 3.71 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 120.653 1.57 . . . . 0.0 109.4 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.03 -48.33 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 119.886 -1.759 . . . . 0.0 112.476 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.77 -33.29 55.39 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.164 -1.585 . . . . 0.0 111.804 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 20.0 m95 -86.96 -35.92 18.59 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.756 -1.84 . . . . 0.0 109.701 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.0 mt -53.63 -44.76 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.465 -1.397 . . . . 0.0 110.005 164.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.93 -53.39 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.603 1.161 . . . . 0.0 110.274 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -53.06 -55.23 25.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 119.899 -1.751 . . . . 0.0 110.642 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -60.74 -39.1 87.43 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 120.634 -1.291 . . . . 0.0 111.18 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.6 -49.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 120.031 -1.668 . . . . 0.0 110.344 168.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -72.49 -32.18 65.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.459 -3.275 . . . . 0.0 110.574 -175.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.67 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.904 -1.123 . . . . 0.0 108.395 164.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -91.59 95.58 10.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 103.05 -2.945 . . . . 0.0 103.05 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-N 125.304 3.684 . . . . 0.0 103.247 164.707 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.04 -44.47 91.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 119.874 -1.956 . . . . 0.0 111.896 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.09 -49.58 73.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 119.723 -1.861 . . . . 0.0 110.089 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.27 -44.59 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.49 -1.381 . . . . 0.0 111.939 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -54.07 -47.92 71.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.525 -1.984 . . . . 0.0 109.762 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -69.81 -42.82 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.738 -1.226 . . . . 0.0 110.909 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -53.82 -40.18 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.507 -1.37 . . . . 0.0 111.621 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.577 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.0 mt -72.64 -46.01 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 119.57 -1.956 . . . . 0.0 111.295 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.23 -58.01 8.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.794 -1.816 . . . . 0.0 109.382 171.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -53.24 -49.4 66.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 122.429 1.109 . . . . 0.0 111.422 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 17' ' ' ILE 0.32 0.5 OUTLIER -69.0 -45.69 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.409 -1.432 . . . . 0.0 110.464 -173.594 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.63 -62.52 1.6 Allowed 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.488 -2.007 . . . . 0.0 111.022 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -65.3 -50.11 66.94 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.947 -1.096 . . . . 0.0 111.237 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -89.11 -50.65 6.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.546 1.138 . . . . 0.0 111.549 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.488 1.466 0 O-C-N 120.577 -1.327 . . . . 0.0 109.203 -171.673 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.99 -45.65 67.95 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 119.701 -1.874 . . . . 0.0 112.549 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -57.57 -41.84 81.91 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.297 -1.502 . . . . 0.0 111.89 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.42 -42.05 75.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.272 -1.518 . . . . 0.0 111.414 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.62 -47.08 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 120.563 -1.336 . . . . 0.0 109.838 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.66 -45.14 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.072 -1.643 . . . . 0.0 110.285 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.2 m -57.76 -47.32 82.84 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.13 -1.606 . . . . 0.0 111.289 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -60.2 -50.4 73.82 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 120.661 -1.274 . . . . 0.0 108.927 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.3 mt -55.54 -40.91 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 119.559 -1.963 . . . . 0.0 110.53 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.62 -48.69 75.14 Favored Glycine 0 N--CA 1.48 1.577 0 O-C-N 119.784 -1.823 . . . . 0.0 111.743 172.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -58.7 -43.95 90.2 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.059 -1.848 . . . . 0.0 111.906 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.65 -49.57 74.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 119.649 -1.907 . . . . 0.0 109.992 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -53.25 -42.04 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.517 -1.364 . . . . 0.0 112.219 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -52.93 -48.59 67.17 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 119.506 -1.997 . . . . 0.0 109.986 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.58 -43.65 72.42 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.028 -1.045 . . . . 0.0 110.491 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -53.8 -46.21 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.547 -1.345 . . . . 0.0 111.354 170.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.95 -47.29 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 119.442 -2.036 . . . . 0.0 110.116 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.5 -57.53 10.37 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 119.955 -1.716 . . . . 0.0 110.621 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -56.38 -41.45 76.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.794 -1.192 . . . . 0.0 111.607 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.46 -53.6 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 124.267 1.984 . . . . 0.0 110.337 175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.51 -34.28 77.44 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 117.205 -3.434 . . . . 0.0 109.67 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.86 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.36 1.03 0 CA-C-O 122.286 1.041 . . . . 0.0 108.903 164.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -91.79 93.61 8.94 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 101.83 -3.396 . . . . 0.0 101.83 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -78.35 73.24 4.91 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 125.634 3.834 . . . . 0.0 104.112 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.4 mttt 66.17 80.7 0.22 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.695 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 C--N 1.375 1.703 0 O-C-N 120.732 -1.23 . . . . 0.0 108.611 -168.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.53 87.96 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 119.453 -2.03 . . . . 0.0 112.143 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -54.02 -46.65 71.87 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 120.694 -1.254 . . . . 0.0 111.14 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -42.32 75.54 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.621 -1.3 . . . . 0.0 110.945 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.11 -49.47 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.586 -1.321 . . . . 0.0 109.938 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.68 -47.68 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.144 -1.597 . . . . 0.0 109.997 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -53.3 -50.97 63.81 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 120.787 -1.196 . . . . 0.0 110.525 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.4 m -61.21 -47.45 86.04 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.817 -1.177 . . . . 0.0 109.495 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.4 mt -50.38 -53.26 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 120.231 -1.543 . . . . 0.0 109.053 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 -44.0 97.72 Favored Glycine 0 N--CA 1.488 2.133 0 O-C-N 120.369 -1.457 . . . . 0.0 113.338 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.28 -15.49 47.84 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.31 1.444 . . . . 0.0 112.953 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.16 -50.78 4.68 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 120.553 1.524 . . . . 0.0 110.383 164.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 t -52.08 -48.35 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 119.82 -1.8 . . . . 0.0 111.943 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.52 -35.26 52.85 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.284 -1.51 . . . . 0.0 111.894 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.94 -35.9 21.77 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 119.829 -1.795 . . . . 0.0 109.959 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.64 -45.18 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.288 -1.508 . . . . 0.0 109.74 164.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mm -67.08 -46.74 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 O-C-N 119.582 -1.949 . . . . 0.0 110.824 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -53.12 -56.62 14.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 119.653 -1.904 . . . . 0.0 110.485 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -58.13 -44.7 87.93 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.777 -1.202 . . . . 0.0 110.813 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.3 -48.92 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-O 123.601 1.667 . . . . 0.0 110.98 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -70.16 -34.87 73.54 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 117.265 -3.397 . . . . 0.0 110.229 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.91 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.359 0.994 0 CA-C-O 122.301 1.048 . . . . 0.0 109.08 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -91.35 95.2 9.87 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -78.11 67.34 3.92 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 125.315 3.689 . . . . 0.0 103.387 164.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -140.27 -150.75 0.33 Allowed 'General case' 0 C--N 1.371 1.522 0 C-N-CA 125.365 1.466 . . . . 0.0 107.796 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--N 1.374 1.631 0 O-C-N 118.277 -2.764 . . . . 0.0 111.157 164.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.96 61.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 127.999 2.52 . . . . 0.0 116.914 -164.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.277 41.0 mt-30 85.44 32.56 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 128.287 2.635 . . . . 0.0 110.856 -166.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 5' ' ' ILE . 29.1 m-20 62.72 65.27 0.84 Allowed 'General case' 0 C--N 1.376 1.735 1 N-CA-C 99.578 -4.231 . . . . 0.0 99.578 -163.254 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.515 HG23 ' HB ' ' A' ' 9' ' ' ILE 1.341 13.8 tt 19.99 112.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.404 2.954 1 CA-C-O 99.77 -9.681 . . . . 0.0 100.295 -162.336 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' C ' ' H ' ' A' ' 8' ' ' THR . 11.5 tt -52.75 131.12 14.51 Favored 'Isoleucine or valine' 0 C--N 1.385 2.123 2 CA-C-N 134.359 7.8 . . . . 0.0 115.479 -150.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m 30.94 -27.96 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.685 0 C-N-CA 130.861 3.664 . . . . 0.0 119.297 -164.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 6' ' ' ILE . 21.8 m -74.25 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.972 1 C-N-CA 139.514 7.125 . . . . 0.0 110.354 -164.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' HB ' HG23 ' A' ' 5' ' ' ILE 0.553 39.5 mt -62.27 -10.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.956 0 N-CA-C 103.884 -2.636 . . . . 0.0 103.884 164.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.9 -70.5 0.92 Allowed Glycine 0 N--CA 1.507 3.414 1 C-N-CA 112.724 -4.56 . . . . 0.0 113.089 163.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -41.61 -46.76 3.73 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 119.917 -1.931 . . . . 0.0 112.075 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.39 -31.67 70.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.097 -1.002 . . . . 0.0 113.598 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -45.22 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 122.237 2.289 . . . . 0.0 111.555 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.72 -40.27 87.43 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.334 -1.479 . . . . 0.0 111.216 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -72.74 -41.3 65.29 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.06 -1.65 . . . . 0.0 110.744 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -53.7 -49.14 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 120.428 -1.42 . . . . 0.0 110.586 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.47 -49.69 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 119.711 -1.868 . . . . 0.0 110.626 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.03 -53.9 43.31 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 120.3 -1.5 . . . . 0.0 110.569 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 m -58.07 -50.84 72.06 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.242 -1.536 . . . . 0.0 110.336 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.05 -43.41 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 120.842 -1.161 . . . . 0.0 111.158 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -78.25 -55.03 5.58 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.283 -2.136 . . . . 0.0 111.901 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.46 -49.61 68.44 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.337 -1.477 . . . . 0.0 112.292 -173.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -89.09 -59.03 2.33 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.091 1.356 . . . . 0.0 109.708 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m -83.21 46.26 1.11 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.403 -1.436 . . . . 0.0 109.49 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -52.87 -38.32 61.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 118.487 -2.633 . . . . 0.0 111.954 169.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 C--N 1.375 1.716 0 CA-C-N 121.271 1.85 . . . . 0.0 109.223 -171.726 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.09 79.93 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 119.637 -1.915 . . . . 0.0 112.435 -168.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.16 -41.98 76.3 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 120.563 -1.335 . . . . 0.0 111.952 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -74.37 -40.28 62.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.27 -1.519 . . . . 0.0 111.515 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.91 -48.36 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.546 -1.346 . . . . 0.0 109.717 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.7 -45.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 120.274 -1.516 . . . . 0.0 110.227 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -57.47 -48.83 78.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.218 -1.551 . . . . 0.0 111.172 175.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -61.07 -52.74 63.64 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.75 -1.219 . . . . 0.0 109.086 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -56.07 -42.43 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 119.674 -1.891 . . . . 0.0 110.338 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.17 -48.46 74.23 Favored Glycine 0 N--CA 1.478 1.495 0 O-C-N 119.887 -1.758 . . . . 0.0 111.762 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -58.24 -45.82 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.036 -1.861 . . . . 0.0 111.613 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -55.96 -49.77 72.65 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.897 -1.752 . . . . 0.0 110.082 171.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -53.29 -43.16 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 125.289 1.436 . . . . 0.0 112.062 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -53.12 -51.3 62.36 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 119.89 -1.756 . . . . 0.0 109.217 173.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.92 -45.3 74.74 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.219 -0.926 . . . . 0.0 110.422 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.78 -49.0 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.802 -1.186 . . . . 0.0 111.246 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.32 -42.89 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 119.832 -1.792 . . . . 0.0 110.665 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -53.32 -59.7 4.24 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 119.693 -1.879 . . . . 0.0 109.357 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.2 m -54.82 -48.5 72.74 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.062 -1.024 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.44 -50.04 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-O 123.454 1.597 . . . . 0.0 111.261 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -31.84 68.03 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 117.499 -3.251 . . . . 0.0 109.286 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -60.54 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -91.57 97.36 10.99 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.4 m -78.2 65.16 3.5 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 125.507 3.776 . . . . 0.0 103.906 166.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 55.18 -144.15 0.7 Allowed 'General case' 0 C--N 1.374 1.635 0 O-C-N 121.382 -0.824 . . . . 0.0 110.475 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--N 1.372 1.563 0 O-C-N 118.622 -2.549 . . . . 0.0 111.179 166.349 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.51 85.03 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 119.439 -2.038 . . . . 0.0 112.229 -172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -56.07 -43.84 78.33 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.519 -1.363 . . . . 0.0 111.555 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.21 -42.65 75.44 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.451 -1.406 . . . . 0.0 110.849 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.98 -47.3 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.549 -1.344 . . . . 0.0 110.106 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.7 mt -63.74 -47.17 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 120.182 -1.574 . . . . 0.0 109.915 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -55.97 -50.02 71.96 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.564 -1.335 . . . . 0.0 110.864 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -57.9 -54.15 50.2 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.845 -1.159 . . . . 0.0 108.544 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -54.1 -44.24 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 119.777 -1.827 . . . . 0.0 110.72 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.09 92.71 Favored Glycine 0 N--CA 1.481 1.697 0 O-C-N 119.961 -1.712 . . . . 0.0 113.06 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.72 -43.07 94.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 119.977 -1.896 . . . . 0.0 111.502 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.33 -52.45 65.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.476 -1.39 . . . . 0.0 109.452 172.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -52.47 -48.48 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 124.759 1.224 . . . . 0.0 110.651 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.54 -47.96 75.48 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 120.109 -1.62 . . . . 0.0 110.813 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -64.64 -45.25 87.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.732 -1.23 . . . . 0.0 110.746 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.0 mt -53.82 -44.97 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.687 -1.258 . . . . 0.0 111.205 171.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.27 -48.45 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 119.408 -2.057 . . . . 0.0 110.429 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -53.34 -57.85 9.15 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.208 -1.557 . . . . 0.0 110.415 173.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -54.96 -42.95 72.99 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 120.983 -1.073 . . . . 0.0 111.146 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.83 -48.79 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 123.318 1.532 . . . . 0.0 110.91 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -70.14 -34.74 73.42 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.342 -3.349 . . . . 0.0 110.294 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -58.02 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.359 0.981 0 CA-C-O 122.213 1.006 . . . . 0.0 108.857 164.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -91.59 96.94 10.74 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 102.542 -3.132 . . . . 0.0 102.542 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -78.12 67.28 3.91 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 125.552 3.796 . . . . 0.0 103.385 165.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -141.3 -150.94 0.34 Allowed 'General case' 0 C--N 1.371 1.522 0 C-N-CA 125.263 1.425 . . . . 0.0 108.033 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.374 1.652 0 O-C-N 118.313 -2.742 . . . . 0.0 111.157 165.616 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mtp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.11 -44.58 67.78 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.66 -1.9 . . . . 0.0 112.281 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -56.66 -41.99 78.17 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.339 -1.476 . . . . 0.0 111.954 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.95 -42.1 73.66 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.132 -1.605 . . . . 0.0 111.644 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.74 -49.05 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.519 -1.363 . . . . 0.0 109.753 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.68 -42.15 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.35 -1.469 . . . . 0.0 110.31 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.98 -45.9 91.19 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.051 -1.656 . . . . 0.0 111.302 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.5 m -62.1 -53.15 59.55 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.547 -1.346 . . . . 0.0 109.105 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.0 mt -54.66 -43.56 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 119.617 -1.927 . . . . 0.0 110.026 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.24 -45.88 81.17 Favored Glycine 0 N--CA 1.476 1.355 0 O-C-N 120.188 -1.57 . . . . 0.0 111.851 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -59.87 -44.4 94.19 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 119.979 -1.895 . . . . 0.0 111.591 175.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.86 -49.73 74.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 119.872 -1.768 . . . . 0.0 110.063 171.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -53.44 -43.07 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 120.496 -1.378 . . . . 0.0 112.216 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -54.13 -49.06 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.543 -1.973 . . . . 0.0 109.404 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -67.08 -45.33 77.61 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.097 -1.002 . . . . 0.0 110.559 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.7 mt -53.75 -48.59 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.793 -1.192 . . . . 0.0 111.482 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.55 -44.29 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 119.533 -1.979 . . . . 0.0 110.561 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.31 -60.25 3.54 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 119.751 -1.843 . . . . 0.0 109.665 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -54.74 -44.8 73.88 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.07 -1.019 . . . . 0.0 111.334 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.21 -57.8 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-O 124.115 1.912 . . . . 0.0 110.506 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.39 -32.98 74.82 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 117.515 -3.241 . . . . 0.0 109.921 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -60.9 -83.81 0.01 OUTLIER 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.517 1.151 . . . . 0.0 108.423 164.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.91 92.87 8.53 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m -78.31 69.92 4.59 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 125.637 3.835 . . . . 0.0 103.681 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.19 136.62 58.08 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.75 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 C--N 1.368 1.402 0 O-C-N 120.275 -1.516 . . . . 0.0 110.905 177.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.26 52.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 119.574 -1.953 . . . . 0.0 112.295 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.93 -44.79 64.05 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.949 -1.719 . . . . 0.0 111.865 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.73 -37.0 67.89 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.42 -1.425 . . . . 0.0 111.471 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -57.39 -51.43 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 O-C-N 120.107 -1.621 . . . . 0.0 109.036 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.52 -54.24 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.029 -1.67 . . . . 0.0 109.376 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -67.44 -81.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.792 -1.192 . . . . 0.0 109.735 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.2 m -64.16 -61.26 2.37 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.272 -1.518 . . . . 0.0 108.777 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.45 -41.24 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 121.261 1.846 . . . . 0.0 110.45 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.87 -37.77 91.3 Favored Glycine 0 N--CA 1.482 1.716 0 O-C-N 119.39 -2.069 . . . . 0.0 113.631 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -63.85 -42.93 97.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.76 -2.023 . . . . 0.0 111.46 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -52.2 66.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.541 -1.349 . . . . 0.0 109.786 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.1 t -53.1 -47.35 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.027 1.331 . . . . 0.0 110.744 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.52 -49.17 73.31 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 120.198 -1.564 . . . . 0.0 110.048 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -61.53 -46.71 88.78 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.009 -1.057 . . . . 0.0 110.575 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.8 -47.31 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.836 -1.165 . . . . 0.0 111.545 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.16 -44.69 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 119.367 -2.083 . . . . 0.0 110.643 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.16 -63.29 1.19 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 119.986 -1.696 . . . . 0.0 108.972 169.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.1 m -49.93 -37.14 30.51 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.678 1.191 . . . . 0.0 112.895 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.65 -41.45 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.851 1.66 . . . . 0.0 112.398 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.55 -49.58 11.15 Favored 'General case' 0 N--CA 1.495 1.778 1 O-C-N 115.85 -4.281 . . . . 0.0 106.227 -175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.439 64.7 mttt -58.4 -87.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 1 CA-C-O 89.633 -14.508 . . . . 0.0 105.352 163.847 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -93.77 123.71 37.29 Favored 'General case' 0 C--N 1.307 -1.239 2 O-C-N 71.618 -31.927 . . . . 0.0 108.546 165.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -78.34 65.51 3.69 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 125.635 3.834 . . . . 0.0 107.857 167.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -152.41 -58.37 0.14 Allowed 'General case' 0 C--N 1.375 1.712 0 C-N-CA 123.866 0.866 . . . . 0.0 109.555 164.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.372 1.581 0 O-C-N 119.843 -1.786 . . . . 0.0 109.31 -172.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' CA ' ' HB ' ' A' ' 5' ' ' ILE . 83.9 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . -51.0 124.66 11.82 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 116.649 -3.782 . . . . 0.0 109.55 -161.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -9.65 24.52 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.14 1 C-N-CA 134.114 4.966 . . . . 0.0 118.744 -164.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 2' ' ' ALA . 16.4 m-20 -162.11 -40.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 O-C-N 117.353 -3.342 . . . . 0.0 109.93 -163.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' HB ' ' CA ' ' A' ' 1' ' ' MET . 4.9 mt -63.47 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 N-CA-C 102.582 -3.118 . . . . 0.0 102.582 162.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.17 -76.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 164.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -53.64 -71.69 0.07 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.479 -1.388 . . . . 0.0 111.566 -168.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 m -65.77 -66.57 0.53 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.452 -2.03 . . . . 0.0 108.591 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.301 96.3 mt -60.31 -40.53 84.15 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 O-C-N 119.57 -1.956 . . . . 0.0 110.734 -170.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.32 -44.81 96.36 Favored Glycine 0 N--CA 1.484 1.846 0 O-C-N 119.407 -2.058 . . . . 0.0 113.683 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -70.56 -12.05 61.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 119.821 -1.987 . . . . 0.0 112.609 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -92.76 -41.85 9.9 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.148 2.249 . . . . 0.0 113.686 165.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.71 -41.52 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 119.644 -1.91 . . . . 0.0 112.707 -170.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.54 -37.58 68.14 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 119.7 -1.875 . . . . 0.0 112.122 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -75.78 -40.53 55.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.984 -1.697 . . . . 0.0 109.577 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.5 -46.77 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.671 -1.268 . . . . 0.0 110.828 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.53 -45.32 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 119.26 -2.15 . . . . 0.0 110.894 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.5 -65.08 0.62 Allowed 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.714 -1.241 . . . . 0.0 109.11 169.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -50.56 -44.09 56.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.767 0.827 . . . . 0.0 110.406 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.42 -63.9 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-O 124.53 2.11 . . . . 0.0 110.984 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -66.66 -30.22 70.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 117.391 -3.318 . . . . 0.0 110.885 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -62.57 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.895 -1.128 . . . . 0.0 108.895 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.76 91.8 8.12 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 101.597 -3.483 . . . . 0.0 101.597 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m -77.81 73.14 4.38 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 125.511 3.778 . . . . 0.0 104.478 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.21 144.9 52.88 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.721 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--N 1.371 1.513 0 O-C-N 119.826 -1.796 . . . . 0.0 108.717 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.81 -38.92 61.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 119.273 -2.142 . . . . 0.0 113.138 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -54.81 -40.18 69.27 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.125 -1.609 . . . . 0.0 112.067 171.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.61 -35.53 52.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.69 -1.256 . . . . 0.0 111.932 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.8 mt -55.98 -52.81 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 O-C-N 120.111 -1.618 . . . . 0.0 108.312 169.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.3 -51.82 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 O-C-N 120.096 -1.628 . . . . 0.0 109.477 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m -70.09 -78.66 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.556 -1.34 . . . . 0.0 109.801 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 m -68.13 -59.16 3.44 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.423 -1.423 . . . . 0.0 108.943 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -59.78 -39.68 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 121.44 1.927 . . . . 0.0 110.407 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.63 -47.91 74.52 Favored Glycine 0 N--CA 1.481 1.641 0 O-C-N 119.425 -2.047 . . . . 0.0 112.331 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.59 -45.21 81.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.854 -1.969 . . . . 0.0 111.794 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.77 -49.58 74.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 119.855 -1.778 . . . . 0.0 110.014 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.6 t -53.31 -43.37 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 125.255 1.422 . . . . 0.0 112.052 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -53.65 -49.66 67.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 119.735 -1.853 . . . . 0.0 109.759 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -68.57 -44.28 74.79 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.112 -0.993 . . . . 0.0 110.601 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.3 mt -53.76 -47.29 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 120.634 -1.291 . . . . 0.0 111.194 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.46 -47.05 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.686 -1.884 . . . . 0.0 110.263 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.26 -57.86 9.08 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.086 -1.634 . . . . 0.0 110.027 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 m -55.22 -46.08 75.96 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.945 -1.097 . . . . 0.0 111.27 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.04 -49.36 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 123.61 1.672 . . . . 0.0 111.128 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -72.05 -32.83 67.47 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 117.428 -3.295 . . . . 0.0 109.726 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.46 -84.32 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 164.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -91.73 99.24 12.16 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 103.166 -2.901 . . . . 0.0 103.166 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.4 m -78.12 72.83 4.67 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-N 125.765 3.893 . . . . 0.0 102.415 164.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 82.03 140.34 0.07 Allowed 'General case' 0 C--N 1.377 1.766 0 C-N-CA 127.142 2.177 . . . . 0.0 110.145 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 C--N 1.373 1.615 0 O-C-N 120.045 -1.66 . . . . 0.0 108.993 -179.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.6 mtp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.1 -46.35 72.09 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 119.671 -1.893 . . . . 0.0 112.298 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -56.31 -45.21 80.38 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.395 -1.441 . . . . 0.0 111.356 175.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.93 -42.26 90.31 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.365 -1.459 . . . . 0.0 111.5 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.11 -45.66 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 O-C-N 120.495 -1.378 . . . . 0.0 110.115 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -46.07 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 119.999 -1.688 . . . . 0.0 110.214 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.0 m -57.67 -46.32 84.42 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.205 -1.559 . . . . 0.0 111.437 174.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.2 m -60.48 -50.02 75.22 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.611 -1.306 . . . . 0.0 109.097 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.5 mt -55.71 -43.37 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 119.407 -2.058 . . . . 0.0 110.309 174.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.57 -46.03 89.05 Favored Glycine 0 N--CA 1.478 1.486 0 O-C-N 119.924 -1.735 . . . . 0.0 111.932 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 119.756 -2.026 . . . . 0.0 111.765 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.85 -49.16 74.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 119.938 -1.726 . . . . 0.0 109.861 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 t -53.2 -45.94 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.461 -1.399 . . . . 0.0 111.984 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -53.28 -49.48 66.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.674 -1.891 . . . . 0.0 109.671 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -67.17 -43.87 81.14 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.163 -0.961 . . . . 0.0 110.838 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.87 -46.98 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.363 -1.46 . . . . 0.0 111.348 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.36 -49.14 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 119.465 -2.022 . . . . 0.0 110.212 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -53.48 -58.27 7.74 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.306 -1.496 . . . . 0.0 110.501 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -54.86 -41.2 70.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.781 -1.199 . . . . 0.0 111.348 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.73 -53.51 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-O 123.985 1.85 . . . . 0.0 110.7 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -67.89 -31.52 71.36 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 117.285 -3.385 . . . . 0.0 110.224 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.06 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.359 0.996 0 CA-C-O 122.343 1.068 . . . . 0.0 108.303 164.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -91.91 95.02 9.59 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -78.08 73.7 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 125.659 3.845 . . . . 0.0 104.154 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 74.01 0.08 Allowed 'General case' 0 C--N 1.367 1.367 0 CA-C-N 114.425 -1.261 . . . . 0.0 107.93 169.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.486 1.332 0 O-C-N 119.851 -1.781 . . . . 0.0 110.329 -178.374 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mtp . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.93 62.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 119.175 -2.203 . . . . 0.0 112.899 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -53.8 -41.27 67.12 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.385 -1.447 . . . . 0.0 111.967 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.85 -35.05 51.47 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.793 -1.192 . . . . 0.0 112.182 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.12 -53.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 120.044 -1.66 . . . . 0.0 108.528 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.23 -52.66 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.015 -1.678 . . . . 0.0 108.778 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m -67.97 -83.7 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.197 -0.939 . . . . 0.0 109.537 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.8 m -66.52 -55.14 16.89 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 119.381 -2.074 . . . . 0.0 109.219 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.25 51.2 mt -59.44 -47.45 90.67 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 CA-C-N 120.805 1.638 . . . . 0.0 109.675 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.8 98.79 Favored Glycine 0 N--CA 1.487 2.052 0 O-C-N 119.892 -1.755 . . . . 0.0 113.797 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 74.9 m-20 -64.41 -16.19 61.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.27 -1.723 . . . . 0.0 112.393 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.1 mt -90.9 -55.05 3.71 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 120.653 1.57 . . . . 0.0 109.4 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -53.03 -48.33 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 119.886 -1.759 . . . . 0.0 112.476 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.77 -33.29 55.39 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.164 -1.585 . . . . 0.0 111.804 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 20.0 m95 -86.96 -35.92 18.59 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.756 -1.84 . . . . 0.0 109.701 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 98.0 mt -53.63 -44.76 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.465 -1.397 . . . . 0.0 110.005 164.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.93 -53.39 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 124.603 1.161 . . . . 0.0 110.274 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -53.06 -55.23 25.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 119.899 -1.751 . . . . 0.0 110.642 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -60.74 -39.1 87.43 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 120.634 -1.291 . . . . 0.0 111.18 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.6 -49.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 120.031 -1.668 . . . . 0.0 110.344 168.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -72.49 -32.18 65.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.459 -3.275 . . . . 0.0 110.574 -175.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.67 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.358 0.977 0 O-C-N 120.904 -1.123 . . . . 0.0 108.395 164.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -91.59 95.58 10.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 103.05 -2.945 . . . . 0.0 103.05 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m -78.3 63.66 3.25 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 125.304 3.684 . . . . 0.0 103.247 164.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -143.14 87.03 1.94 Allowed 'General case' 0 C--N 1.374 1.668 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.371 1.517 0 O-C-N 119.861 -1.774 . . . . 0.0 108.73 -178.621 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.92 -44.62 82.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.879 -1.763 . . . . 0.0 111.542 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -54.16 -47.57 71.83 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.529 -1.357 . . . . 0.0 111.408 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.96 -43.0 75.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.773 -1.205 . . . . 0.0 111.26 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.5 -53.37 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 120.904 -1.122 . . . . 0.0 109.348 173.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.28 -40.69 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 119.973 -1.704 . . . . 0.0 109.826 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -63.68 -79.85 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.046 -1.659 . . . . 0.0 109.447 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m -66.46 -65.42 0.68 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.022 -1.674 . . . . 0.0 109.098 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.38 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 119.854 -1.779 . . . . 0.0 110.797 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.68 -46.66 94.02 Favored Glycine 0 N--CA 1.48 1.575 0 O-C-N 119.564 -1.96 . . . . 0.0 112.012 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.04 -44.47 91.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 119.874 -1.956 . . . . 0.0 111.896 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.09 -49.58 73.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 119.723 -1.861 . . . . 0.0 110.089 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.27 -44.59 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.49 -1.381 . . . . 0.0 111.939 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -54.07 -47.92 71.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.525 -1.984 . . . . 0.0 109.762 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -69.81 -42.82 73.2 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.738 -1.226 . . . . 0.0 110.909 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -53.82 -40.18 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.507 -1.37 . . . . 0.0 111.621 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.577 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.0 mt -72.64 -46.01 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 O-C-N 119.57 -1.956 . . . . 0.0 111.295 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.23 -58.01 8.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 119.794 -1.816 . . . . 0.0 109.382 171.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -53.24 -49.4 66.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 122.429 1.109 . . . . 0.0 111.422 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 17' ' ' ILE 0.32 0.5 OUTLIER -69.0 -45.69 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.409 -1.432 . . . . 0.0 110.464 -173.594 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.63 -62.52 1.6 Allowed 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.488 -2.007 . . . . 0.0 111.022 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -65.3 -50.11 66.94 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.947 -1.096 . . . . 0.0 111.237 -168.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -89.11 -50.65 6.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.546 1.138 . . . . 0.0 111.549 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -91.25 38.65 0.97 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.577 -1.327 . . . . 0.0 109.203 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -44.89 -58.53 3.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 119.08 -2.263 . . . . 0.0 111.936 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.374 1.673 0 O-C-N 120.038 -1.663 . . . . 0.0 110.886 -176.548 . . . . . . . . 0 0 . 1 stop_ save_