data_2dtb_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 2dtb _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -58.2 -50.22 74.3 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 119.414 -2.054 . . . . 0.0 110.138 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.3 m -58.75 -47.4 84.78 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 119.569 -1.957 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.98 -41.03 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 118.938 -2.351 . . . . 0.0 107.35 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.74 -37.24 89.52 Favored Glycine 0 C--N 1.361 1.931 0 CA-C-N 123.264 2.757 . . . . 0.0 111.16 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.9 -45.6 91.74 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 122.675 3.237 . . . . 0.0 110.018 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.36 -40.76 98.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 118.588 -2.57 . . . . 0.0 110.726 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -53.82 -55.89 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 119.091 -2.256 . . . . 0.0 108.808 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -58.4 -56.59 20.18 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 119.957 -1.715 . . . . 0.0 109.504 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -81.92 -63.6 1.35 Allowed 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.945 -2.347 . . . . 0.0 109.285 -171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -70.58 -56.95 9.15 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 O-C-N 119.772 -1.83 . . . . 0.0 107.856 -171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -68.89 -43.26 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 CA-C-N 122.299 2.318 . . . . 0.0 109.453 -170.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.44 -42.63 92.35 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 123.328 2.786 . . . . 0.0 109.248 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -61.5 -42.48 98.87 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 124.181 3.173 . . . . 0.0 111.447 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.89 -38.07 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 119.304 -2.123 . . . . 0.0 109.285 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -78.04 -27.28 48.74 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 122.868 2.576 . . . . 0.0 113.994 171.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -53.36 -38.97 63.79 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 124.843 3.474 . . . . 0.0 107.737 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -72.82 -59.1 2.87 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 168.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.486 1.365 0 O-C-N 119.022 -2.299 . . . . 0.0 110.041 -172.451 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 N--CA 1.511 2.581 0 CA-C-O 120.454 0.168 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.374 1.638 0 C-N-CA 126.671 1.988 . . . . 0.0 110.124 168.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -80.12 -20.01 45.98 Favored 'General case' 0 C--N 1.374 1.672 0 O-C-N 117.72 -3.113 . . . . 0.0 109.1 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.78 -44.2 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 123.29 2.768 . . . . 0.0 107.315 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -41.03 98.46 Favored Glycine 0 C--N 1.362 1.989 0 O-C-N 118.355 -2.715 . . . . 0.0 110.873 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.15 -43.28 95.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 122.662 3.231 . . . . 0.0 110.87 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.56 -46.72 88.06 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.254 -2.154 . . . . 0.0 109.328 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.54 -48.75 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 118.858 -2.401 . . . . 0.0 109.821 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.58 -54.32 44.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 118.88 -2.387 . . . . 0.0 109.901 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -58.82 -38.93 79.74 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 119.539 -1.975 . . . . 0.0 111.371 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -71.36 -43.59 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 119.404 -2.06 . . . . 0.0 108.494 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.21 -52.15 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 123.662 2.937 . . . . 0.0 108.569 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.21 -48.15 71.34 Favored 'General case' 0 C--N 1.366 1.294 0 O-C-N 120.021 -1.674 . . . . 0.0 110.081 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.5 m -60.8 -48.15 83.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.015 -2.303 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.07 -38.67 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 119.816 -1.802 . . . . 0.0 109.882 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.67 -32.64 28.04 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 123.635 2.925 . . . . 0.0 112.359 172.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -53.67 -38.56 64.29 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.478 2.853 . . . . 0.0 108.127 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.56 -61.41 1.81 Allowed 'General case' 0 C--N 1.369 1.45 0 O-C-N 119.395 -2.066 . . . . 0.0 106.775 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.529 0 O-C-N 118.707 -2.496 . . . . 0.0 110.734 -170.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -58.66 -66.13 0.54 Allowed 'General case' 0 C--N 1.368 1.399 0 O-C-N 117.768 -3.082 . . . . 0.0 109.651 169.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -70.96 -65.93 0.68 Allowed 'General case' 0 C--N 1.366 1.314 0 O-C-N 118.535 -2.603 . . . . 0.0 109.415 -169.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.78 -36.36 58.43 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 119.822 -1.799 . . . . 0.0 107.253 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.89 -37.9 93.74 Favored Glycine 0 C--N 1.363 2.062 0 CA-C-N 123.64 2.927 . . . . 0.0 109.943 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.54 -39.57 94.04 Favored 'General case' 0 N--CA 1.491 1.598 1 CA-C-N 124.667 4.234 . . . . 0.0 110.625 170.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.89 -39.28 80.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 118.089 -2.882 . . . . 0.0 110.91 171.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.1 t -56.75 -53.05 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 118.914 -2.366 . . . . 0.0 108.765 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -56.2 -60.38 3.58 Favored 'General case' 0 C--N 1.365 1.271 0 O-C-N 120.404 -1.435 . . . . 0.0 108.498 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -80.13 -68.42 0.68 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.274 -2.142 . . . . 0.0 109.396 -171.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.69 -55.54 16.6 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 119.763 -1.836 . . . . 0.0 108.397 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.65 -41.06 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 O-C-N 119.305 -2.122 . . . . 0.0 109.158 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.74 -39.21 93.41 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 124.556 3.344 . . . . 0.0 110.219 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -59.92 -47.05 87.37 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.696 2.953 . . . . 0.0 110.61 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -42.94 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 119.368 -2.083 . . . . 0.0 109.452 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.93 -44.1 97.0 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 118.893 -2.38 . . . . 0.0 110.498 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -58.25 -44.81 88.5 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 118.914 -2.366 . . . . 0.0 109.701 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -65.88 -42.38 90.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 119.301 -2.125 . . . . 0.0 111.448 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.489 1.487 0 O-C-N 119.132 -2.23 . . . . 0.0 111.144 -169.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 m -58.74 -70.64 0.14 Allowed 'General case' 0 C--N 1.365 1.258 0 O-C-N 118.945 -2.347 . . . . 0.0 110.676 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -61.96 -63.22 1.32 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 118.757 -2.464 . . . . 0.0 111.011 -169.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 mt -76.69 -37.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.695 -1.878 . . . . 0.0 107.638 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.16 99.55 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-N 123.906 3.048 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -65.69 -39.43 91.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 123.205 3.502 . . . . 0.0 111.112 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.66 -41.61 90.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 118.197 -2.814 . . . . 0.0 110.371 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.04 -43.65 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 118.915 -2.366 . . . . 0.0 109.277 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -57.23 -61.16 2.67 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 118.267 -2.771 . . . . 0.0 108.567 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.03 -44.52 92.3 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.518 -2.614 . . . . 0.0 111.603 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -79.54 -68.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.14 0 O-C-N 119.705 -1.872 . . . . 0.0 107.502 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.9 -42.17 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 119.104 -2.247 . . . . 0.0 110.945 -169.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.29 -42.48 88.31 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 123.921 3.055 . . . . 0.0 108.26 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -58.8 -54.88 42.07 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 123.323 2.783 . . . . 0.0 109.469 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.93 -47.01 76.56 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 O-C-N 120.08 -1.638 . . . . 0.0 110.253 -174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.32 -40.3 27.01 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 123.05 2.659 . . . . 0.0 111.697 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.25 -36.74 73.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 117.324 -3.36 . . . . 0.0 109.285 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.72 -53.76 9.62 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 122.237 2.29 . . . . 0.0 108.992 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.506 2.334 1 CA-C-O 91.437 -13.649 . . . . 0.0 112.774 175.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -59.17 -74.81 0.06 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.328 -2.108 . . . . 0.0 111.938 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -66.44 -56.02 12.92 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 119.22 -2.175 . . . . 0.0 109.98 -169.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -71.7 -40.43 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 119.388 -2.07 . . . . 0.0 108.191 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.24 -40.75 96.24 Favored Glycine 0 C--N 1.361 1.935 0 CA-C-N 123.856 3.025 . . . . 0.0 111.503 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.48 -42.5 95.86 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 123.499 3.649 . . . . 0.0 110.807 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.71 -42.48 79.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 118.698 -2.501 . . . . 0.0 109.581 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.24 -42.84 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 119.027 -2.296 . . . . 0.0 109.851 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -57.89 -47.55 82.45 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 123.407 2.821 . . . . 0.0 109.229 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -66.77 -35.16 79.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 119.211 -2.181 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.16 -44.85 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 118.683 -2.511 . . . . 0.0 108.81 172.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.43 -54.04 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.055 -2.278 . . . . 0.0 108.084 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.92 -55.25 15.17 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 121.228 1.831 . . . . 0.0 110.158 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -57.31 -58.75 6.89 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 119.815 -1.803 . . . . 0.0 110.1 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.42 -53.22 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 O-C-N 120.112 -1.617 . . . . 0.0 110.057 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.59 -44.73 77.45 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.803 -2.436 . . . . 0.0 110.7 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -58.61 -46.8 86.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 118.647 -2.533 . . . . 0.0 109.686 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -57.71 -34.97 70.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.614 -1.929 . . . . 0.0 111.108 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.488 1.443 0 O-C-N 119.216 -2.177 . . . . 0.0 109.539 -179.46 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.4 p -58.25 -43.8 88.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.011 -2.306 . . . . 0.0 110.996 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 m -59.4 -41.5 89.57 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.352 -2.092 . . . . 0.0 109.754 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.85 -40.22 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.855 -2.403 . . . . 0.0 107.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.34 -38.03 89.25 Favored Glycine 0 C--N 1.362 1.99 0 CA-C-N 123.681 2.946 . . . . 0.0 111.144 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.78 -45.57 92.06 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.118 -2.989 . . . . 0.0 109.963 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.96 -37.84 88.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 118.368 -2.707 . . . . 0.0 111.075 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.47 -54.68 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 119.024 -2.297 . . . . 0.0 108.369 171.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.01 -57.18 13.66 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 120.112 -1.618 . . . . 0.0 109.58 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -81.01 -67.07 0.81 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 118.908 -2.37 . . . . 0.0 109.416 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.89 -53.67 22.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 119.529 -1.982 . . . . 0.0 108.307 -170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -69.6 -43.36 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 119.246 -2.159 . . . . 0.0 108.908 -171.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.56 -40.0 85.9 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 124.404 3.275 . . . . 0.0 110.513 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -59.55 -47.68 84.62 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.568 2.895 . . . . 0.0 110.809 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.28 -44.44 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 119.028 -2.295 . . . . 0.0 109.837 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -60.66 -43.73 97.3 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.837 -2.414 . . . . 0.0 110.29 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.19 -48.44 80.32 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.809 -2.432 . . . . 0.0 109.443 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -60.16 -39.68 87.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.524 -1.985 . . . . 0.0 111.586 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.488 1.435 0 O-C-N 119.249 -2.157 . . . . 0.0 110.734 -172.272 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 m -58.68 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.364 1.238 0 O-C-N 118.715 -2.49 . . . . 0.0 110.145 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -65.69 -61.35 2.13 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 118.164 -2.835 . . . . 0.0 110.388 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.92 -38.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 119.704 -1.873 . . . . 0.0 108.025 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.87 92.81 Favored Glycine 0 C--N 1.362 2.027 0 CA-C-N 123.602 2.91 . . . . 0.0 110.556 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 124.039 3.919 . . . . 0.0 111.062 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -56.33 -42.95 78.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 118.332 -2.73 . . . . 0.0 109.854 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.87 -39.87 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 119.007 -2.308 . . . . 0.0 110.087 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -57.06 -49.08 76.96 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.365 2.802 . . . . 0.0 108.466 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -65.63 -35.91 82.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 119.352 -2.093 . . . . 0.0 112.266 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.77 -48.88 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 119.025 -2.297 . . . . 0.0 108.251 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.71 -48.27 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 118.846 -2.409 . . . . 0.0 109.171 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -54.23 -50.61 66.76 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.71 -1.869 . . . . 0.0 109.008 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -59.88 -50.15 74.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 119.458 -2.026 . . . . 0.0 110.501 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.4 -37.06 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 120.01 -1.681 . . . . 0.0 109.618 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -79.09 -31.76 44.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 123.126 2.694 . . . . 0.0 112.368 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.01 -40.78 67.32 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 123.818 3.008 . . . . 0.0 107.95 171.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -71.65 -61.64 1.7 Allowed 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.66 -1.9 . . . . 0.0 106.667 168.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.423 0 O-C-N 118.933 -2.354 . . . . 0.0 110.401 -170.448 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.6 m -58.05 -47.74 82.21 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 119.506 -1.996 . . . . 0.0 110.015 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -58.13 -42.77 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 119.236 -2.165 . . . . 0.0 110.417 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.95 -46.13 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 118.904 -2.372 . . . . 0.0 107.55 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.16 -35.55 84.79 Favored Glycine 0 C--N 1.361 1.959 0 O-C-N 118.973 -2.329 . . . . 0.0 111.447 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.66 -47.87 76.86 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 122.611 3.206 . . . . 0.0 109.734 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.8 -46.34 87.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 118.956 -2.34 . . . . 0.0 110.085 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.27 -52.16 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 119.717 -1.864 . . . . 0.0 109.743 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -57.87 -42.54 84.75 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.274 -2.141 . . . . 0.0 109.895 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -64.4 -44.7 90.46 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 118.631 -2.543 . . . . 0.0 109.451 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.7 -54.21 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 119.131 -2.231 . . . . 0.0 108.749 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.92 -65.44 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.402 -1.436 . . . . 0.0 108.631 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.31 -43.25 78.76 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.829 -1.795 . . . . 0.0 110.971 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.98 -43.22 62.47 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 118.52 -2.612 . . . . 0.0 109.511 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -34.41 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 118.218 -2.801 . . . . 0.0 110.782 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -65.56 -38.5 89.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 118.13 -2.856 . . . . 0.0 108.475 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.442 93.8 mttt -64.36 -63.77 1.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 125.459 3.754 . . . . 0.0 119.816 166.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -78.14 93.87 4.62 Favored 'General case' 0 N--CA 1.512 2.663 1 N-CA-C 85.379 -9.489 . . . . 0.0 85.379 165.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.401 2.827 2 N-CA-C 125.254 5.279 . . . . 0.0 125.254 -156.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -58.53 -67.84 0.32 Allowed 'General case' 0 C--N 1.365 1.28 0 O-C-N 119.291 -2.131 . . . . 0.0 111.047 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -67.71 -61.1 2.04 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 118.793 -2.442 . . . . 0.0 110.534 -169.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.4 mt -71.95 -37.61 61.63 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 O-C-N 119.569 -1.957 . . . . 0.0 107.159 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.47 -36.6 91.62 Favored Glycine 0 C--N 1.363 2.041 0 CA-C-N 124.586 3.357 . . . . 0.0 111.425 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.51 -40.72 95.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 124.097 3.948 . . . . 0.0 109.697 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.85 -34.9 73.72 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 118.012 -2.93 . . . . 0.0 111.396 170.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.46 -51.0 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 117.819 -3.051 . . . . 0.0 107.908 170.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -54.91 -55.55 29.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 109.356 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -82.9 -61.57 1.83 Allowed 'General case' 0 N--CA 1.485 1.325 0 O-C-N 118.716 -2.49 . . . . 0.0 110.336 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -73.91 -53.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 O-C-N 119.814 -1.804 . . . . 0.0 107.866 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.44 -42.16 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 123.439 2.836 . . . . 0.0 109.556 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.99 -42.08 79.62 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 123.703 2.956 . . . . 0.0 109.569 172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -61.16 -42.82 99.24 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 124.057 3.117 . . . . 0.0 111.766 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.05 -35.62 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 119.069 -2.269 . . . . 0.0 109.213 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -78.66 -29.61 45.83 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 122.39 2.359 . . . . 0.0 112.707 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -53.92 -37.57 63.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 117.351 -3.343 . . . . 0.0 107.883 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 119.645 -1.91 . . . . 0.0 105.997 168.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.485 1.301 0 O-C-N 119.411 -2.055 . . . . 0.0 110.119 -172.192 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 119.013 -0.518 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.46 95.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 118.482 -2.636 . . . . 0.0 110.752 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.67 -35.33 80.46 Favored 'General case' 0 C--N 1.369 1.414 0 O-C-N 118.941 -2.349 . . . . 0.0 110.411 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.7 -37.61 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.821 -2.424 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.27 -46.88 76.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 119.226 -2.171 . . . . 0.0 108.501 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.73 -47.28 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 119.035 -2.29 . . . . 0.0 108.709 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -58.2 -50.22 74.3 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 119.414 -2.054 . . . . 0.0 110.138 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.3 m -58.75 -47.4 84.78 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 119.569 -1.957 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.98 -41.03 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 118.938 -2.351 . . . . 0.0 107.35 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.74 -37.24 89.52 Favored Glycine 0 C--N 1.361 1.931 0 CA-C-N 123.264 2.757 . . . . 0.0 111.16 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.9 -45.6 91.74 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 122.675 3.237 . . . . 0.0 110.018 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.36 -40.76 98.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 118.588 -2.57 . . . . 0.0 110.726 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -53.82 -55.89 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 119.091 -2.256 . . . . 0.0 108.808 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -58.4 -56.59 20.18 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 119.957 -1.715 . . . . 0.0 109.504 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -81.92 -63.6 1.35 Allowed 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.945 -2.347 . . . . 0.0 109.285 -171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -70.58 -56.95 9.15 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 O-C-N 119.772 -1.83 . . . . 0.0 107.856 -171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -68.89 -43.26 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 CA-C-N 122.299 2.318 . . . . 0.0 109.453 -170.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.44 -42.63 92.35 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 123.328 2.786 . . . . 0.0 109.248 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -61.5 -42.48 98.87 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 124.181 3.173 . . . . 0.0 111.447 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.89 -38.07 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 119.304 -2.123 . . . . 0.0 109.285 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -78.04 -27.28 48.74 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 122.868 2.576 . . . . 0.0 113.994 171.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -53.36 -38.97 63.79 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 124.843 3.474 . . . . 0.0 107.737 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -72.82 -59.1 2.87 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 168.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -84.25 59.29 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.022 -2.299 . . . . 0.0 110.041 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -78.84 -67.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 118.992 -2.317 . . . . 0.0 106.222 170.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 C--N 1.373 1.604 0 O-C-N 119.86 -1.775 . . . . 0.0 111.339 172.078 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.36 48.74 0.14 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 118.51 -2.619 . . . . 0.0 111.937 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.497 11.0 pt20 -75.32 -56.04 5.11 Favored 'General case' 0 N--CA 1.514 2.765 3 CA-C-O 87.789 -15.386 . . . . 0.0 125.176 -177.467 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.74 100.82 0.31 Allowed 'General case' 0 N--CA 1.514 2.753 3 O-C-N 76.497 -28.877 . . . . 0.0 88.708 169.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 pt -69.97 -171.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.564 0 CA-C-N 110.586 -3.006 . . . . 0.0 117.358 -160.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -10.67 -42.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.581 0 C-N-CA 124.019 0.928 . . . . 0.0 111.155 168.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.374 1.638 0 C-N-CA 126.671 1.988 . . . . 0.0 110.124 168.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -80.12 -20.01 45.98 Favored 'General case' 0 C--N 1.374 1.672 0 O-C-N 117.72 -3.113 . . . . 0.0 109.1 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.78 -44.2 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 123.29 2.768 . . . . 0.0 107.315 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -41.03 98.46 Favored Glycine 0 C--N 1.362 1.989 0 O-C-N 118.355 -2.715 . . . . 0.0 110.873 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.15 -43.28 95.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 122.662 3.231 . . . . 0.0 110.87 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.56 -46.72 88.06 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.254 -2.154 . . . . 0.0 109.328 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.54 -48.75 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 118.858 -2.401 . . . . 0.0 109.821 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.58 -54.32 44.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 118.88 -2.387 . . . . 0.0 109.901 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -58.82 -38.93 79.74 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 119.539 -1.975 . . . . 0.0 111.371 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -71.36 -43.59 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 119.404 -2.06 . . . . 0.0 108.494 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.21 -52.15 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 123.662 2.937 . . . . 0.0 108.569 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.21 -48.15 71.34 Favored 'General case' 0 C--N 1.366 1.294 0 O-C-N 120.021 -1.674 . . . . 0.0 110.081 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.5 m -60.8 -48.15 83.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.015 -2.303 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.07 -38.67 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 119.816 -1.802 . . . . 0.0 109.882 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.67 -32.64 28.04 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 123.635 2.925 . . . . 0.0 112.359 172.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -53.67 -38.56 64.29 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.478 2.853 . . . . 0.0 108.127 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.56 -61.41 1.81 Allowed 'General case' 0 C--N 1.369 1.45 0 O-C-N 119.395 -2.066 . . . . 0.0 106.775 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -82.24 55.37 2.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 118.707 -2.496 . . . . 0.0 110.734 -170.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -78.49 145.77 34.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 118.743 -2.473 . . . . 0.0 107.978 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 C--N 1.368 1.411 0 O-C-N 119.848 -1.782 . . . . 0.0 110.614 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.2 96.36 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 117.338 -3.351 . . . . 0.0 112.649 -169.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.26 -89.82 0.02 OUTLIER 'General case' 0 C--N 1.369 1.453 0 O-C-N 118.96 -2.338 . . . . 0.0 110.939 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.39 -38.57 81.44 Favored 'General case' 0 C--N 1.371 1.51 0 O-C-N 118.459 -2.65 . . . . 0.0 111.898 -169.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -73.25 -54.17 16.32 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 CA-C-N 121.699 2.045 . . . . 0.0 108.805 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.5 mt -71.88 -34.63 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 124.36 3.255 . . . . 0.0 107.387 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -58.66 -66.13 0.54 Allowed 'General case' 0 C--N 1.368 1.399 0 O-C-N 117.768 -3.082 . . . . 0.0 109.651 169.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -70.96 -65.93 0.68 Allowed 'General case' 0 C--N 1.366 1.314 0 O-C-N 118.535 -2.603 . . . . 0.0 109.415 -169.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.78 -36.36 58.43 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 119.822 -1.799 . . . . 0.0 107.253 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.89 -37.9 93.74 Favored Glycine 0 C--N 1.363 2.062 0 CA-C-N 123.64 2.927 . . . . 0.0 109.943 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.54 -39.57 94.04 Favored 'General case' 0 N--CA 1.491 1.598 1 CA-C-N 124.667 4.234 . . . . 0.0 110.625 170.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.89 -39.28 80.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 118.089 -2.882 . . . . 0.0 110.91 171.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.1 t -56.75 -53.05 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 118.914 -2.366 . . . . 0.0 108.765 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -56.2 -60.38 3.58 Favored 'General case' 0 C--N 1.365 1.271 0 O-C-N 120.404 -1.435 . . . . 0.0 108.498 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -80.13 -68.42 0.68 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.274 -2.142 . . . . 0.0 109.396 -171.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.69 -55.54 16.6 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 119.763 -1.836 . . . . 0.0 108.397 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.65 -41.06 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 O-C-N 119.305 -2.122 . . . . 0.0 109.158 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.74 -39.21 93.41 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 124.556 3.344 . . . . 0.0 110.219 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -59.92 -47.05 87.37 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.696 2.953 . . . . 0.0 110.61 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -42.94 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 119.368 -2.083 . . . . 0.0 109.452 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.93 -44.1 97.0 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 118.893 -2.38 . . . . 0.0 110.498 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -58.25 -44.81 88.5 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 118.914 -2.366 . . . . 0.0 109.701 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -65.88 -42.38 90.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 119.301 -2.125 . . . . 0.0 111.448 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.8 m -79.97 -46.28 16.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.132 -2.23 . . . . 0.0 111.144 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.0 139.55 32.46 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 119.763 -1.835 . . . . 0.0 109.093 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.374 1.655 0 O-C-N 120.112 -1.618 . . . . 0.0 108.783 -172.017 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.1 mtm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.48 67.67 0.53 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 119.651 -1.906 . . . . 0.0 108.827 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.45 -35.17 80.13 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 118.899 -2.376 . . . . 0.0 111.222 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.22 -36.28 79.27 Favored 'General case' 0 C--N 1.368 1.402 0 O-C-N 118.856 -2.402 . . . . 0.0 110.703 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.5 -49.79 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 121.559 1.981 . . . . 0.0 108.595 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -57.42 -50.97 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 119.787 -1.821 . . . . 0.0 108.269 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 m -58.74 -70.64 0.14 Allowed 'General case' 0 C--N 1.365 1.258 0 O-C-N 118.945 -2.347 . . . . 0.0 110.676 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -61.96 -63.22 1.32 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 118.757 -2.464 . . . . 0.0 111.011 -169.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 mt -76.69 -37.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.695 -1.878 . . . . 0.0 107.638 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.16 99.55 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-N 123.906 3.048 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -65.69 -39.43 91.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 123.205 3.502 . . . . 0.0 111.112 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.66 -41.61 90.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 118.197 -2.814 . . . . 0.0 110.371 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.04 -43.65 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 118.915 -2.366 . . . . 0.0 109.277 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -57.23 -61.16 2.67 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 118.267 -2.771 . . . . 0.0 108.567 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.03 -44.52 92.3 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.518 -2.614 . . . . 0.0 111.603 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -79.54 -68.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.14 0 O-C-N 119.705 -1.872 . . . . 0.0 107.502 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.9 -42.17 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 119.104 -2.247 . . . . 0.0 110.945 -169.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.29 -42.48 88.31 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 123.921 3.055 . . . . 0.0 108.26 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -58.8 -54.88 42.07 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 123.323 2.783 . . . . 0.0 109.469 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.93 -47.01 76.56 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 O-C-N 120.08 -1.638 . . . . 0.0 110.253 -174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.32 -40.3 27.01 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 123.05 2.659 . . . . 0.0 111.697 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.25 -36.74 73.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 117.324 -3.36 . . . . 0.0 109.285 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.72 -53.76 9.62 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 122.237 2.29 . . . . 0.0 108.992 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m -87.08 66.59 9.42 Favored 'General case' 0 N--CA 1.506 2.334 1 CA-C-O 91.437 -13.649 . . . . 0.0 112.774 175.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -79.19 -57.56 3.66 Favored 'General case' 0 N--CA 1.483 1.205 2 O-C-N 74.235 -30.291 . . . . 0.0 108.343 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.368 1.393 0 O-C-N 120.14 -1.6 . . . . 0.0 111.19 177.006 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.12 81.78 0.7 Allowed 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.387 -2.071 . . . . 0.0 105.853 169.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.14 -33.57 76.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 119.499 -2.001 . . . . 0.0 112.41 -169.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.84 -32.93 70.12 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-N 123.911 3.051 . . . . 0.0 111.421 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.65 -46.39 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 117.928 -2.983 . . . . 0.0 107.016 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.04 -69.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 119.539 -1.976 . . . . 0.0 107.768 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -59.17 -74.81 0.06 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.328 -2.108 . . . . 0.0 111.938 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -66.44 -56.02 12.92 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 119.22 -2.175 . . . . 0.0 109.98 -169.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -71.7 -40.43 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 119.388 -2.07 . . . . 0.0 108.191 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.24 -40.75 96.24 Favored Glycine 0 C--N 1.361 1.935 0 CA-C-N 123.856 3.025 . . . . 0.0 111.503 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.48 -42.5 95.86 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 123.499 3.649 . . . . 0.0 110.807 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.71 -42.48 79.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 118.698 -2.501 . . . . 0.0 109.581 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.24 -42.84 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 119.027 -2.296 . . . . 0.0 109.851 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -57.89 -47.55 82.45 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 123.407 2.821 . . . . 0.0 109.229 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -66.77 -35.16 79.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 119.211 -2.181 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.16 -44.85 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 118.683 -2.511 . . . . 0.0 108.81 172.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.43 -54.04 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.055 -2.278 . . . . 0.0 108.084 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.92 -55.25 15.17 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 121.228 1.831 . . . . 0.0 110.158 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -57.31 -58.75 6.89 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 119.815 -1.803 . . . . 0.0 110.1 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.42 -53.22 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 O-C-N 120.112 -1.617 . . . . 0.0 110.057 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.59 -44.73 77.45 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.803 -2.436 . . . . 0.0 110.7 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -58.61 -46.8 86.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 118.647 -2.533 . . . . 0.0 109.686 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -57.71 -34.97 70.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.614 -1.929 . . . . 0.0 111.108 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -78.68 -31.69 46.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 119.216 -2.177 . . . . 0.0 109.539 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -79.04 -39.0 35.1 Favored 'General case' 0 C--N 1.367 1.337 0 O-C-N 118.777 -2.452 . . . . 0.0 110.191 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.49 1.528 0 CA-C-N 122.559 2.436 . . . . 0.0 109.86 -177.725 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.32 75.57 0.73 Allowed 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.685 -2.509 . . . . 0.0 108.355 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -65.21 -29.12 69.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 119.055 -2.278 . . . . 0.0 111.134 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.91 -41.87 82.01 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 118.744 -2.472 . . . . 0.0 109.401 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.8 -41.99 77.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 119.727 -1.858 . . . . 0.0 108.438 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -47.24 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 118.499 -2.626 . . . . 0.0 108.754 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.4 p -58.25 -43.8 88.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.011 -2.306 . . . . 0.0 110.996 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 m -59.4 -41.5 89.57 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.352 -2.092 . . . . 0.0 109.754 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.85 -40.22 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.855 -2.403 . . . . 0.0 107.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.34 -38.03 89.25 Favored Glycine 0 C--N 1.362 1.99 0 CA-C-N 123.681 2.946 . . . . 0.0 111.144 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.78 -45.57 92.06 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.118 -2.989 . . . . 0.0 109.963 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.96 -37.84 88.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 118.368 -2.707 . . . . 0.0 111.075 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.47 -54.68 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 119.024 -2.297 . . . . 0.0 108.369 171.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.01 -57.18 13.66 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 120.112 -1.618 . . . . 0.0 109.58 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -81.01 -67.07 0.81 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 118.908 -2.37 . . . . 0.0 109.416 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.89 -53.67 22.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 119.529 -1.982 . . . . 0.0 108.307 -170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -69.6 -43.36 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 119.246 -2.159 . . . . 0.0 108.908 -171.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.56 -40.0 85.9 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 124.404 3.275 . . . . 0.0 110.513 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -59.55 -47.68 84.62 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.568 2.895 . . . . 0.0 110.809 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.28 -44.44 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 119.028 -2.295 . . . . 0.0 109.837 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -60.66 -43.73 97.3 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.837 -2.414 . . . . 0.0 110.29 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.19 -48.44 80.32 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.809 -2.432 . . . . 0.0 109.443 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -60.16 -39.68 87.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.524 -1.985 . . . . 0.0 111.586 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 m -79.57 -41.41 27.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 119.249 -2.157 . . . . 0.0 110.734 -172.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.61 76.15 6.24 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.192 -2.193 . . . . 0.0 107.759 -172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.367 1.361 0 C-N-CA 124.992 1.317 . . . . 0.0 108.249 177.022 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 mtp . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.82 78.95 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.653 -1.904 . . . . 0.0 110.273 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.61 -43.87 88.29 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 118.846 -2.409 . . . . 0.0 109.825 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -68.83 -35.37 76.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 119.279 -2.138 . . . . 0.0 111.129 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 71.9 mt -68.77 -55.42 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 119.787 -1.821 . . . . 0.0 107.874 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt -57.45 -41.94 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 119.19 -2.194 . . . . 0.0 109.02 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 m -58.68 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.364 1.238 0 O-C-N 118.715 -2.49 . . . . 0.0 110.145 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -65.69 -61.35 2.13 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 118.164 -2.835 . . . . 0.0 110.388 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.92 -38.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 119.704 -1.873 . . . . 0.0 108.025 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.87 92.81 Favored Glycine 0 C--N 1.362 2.027 0 CA-C-N 123.602 2.91 . . . . 0.0 110.556 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 124.039 3.919 . . . . 0.0 111.062 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -56.33 -42.95 78.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 118.332 -2.73 . . . . 0.0 109.854 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.87 -39.87 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 119.007 -2.308 . . . . 0.0 110.087 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -57.06 -49.08 76.96 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.365 2.802 . . . . 0.0 108.466 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -65.63 -35.91 82.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 119.352 -2.093 . . . . 0.0 112.266 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.77 -48.88 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 119.025 -2.297 . . . . 0.0 108.251 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.71 -48.27 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 118.846 -2.409 . . . . 0.0 109.171 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -54.23 -50.61 66.76 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.71 -1.869 . . . . 0.0 109.008 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -59.88 -50.15 74.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 119.458 -2.026 . . . . 0.0 110.501 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.4 -37.06 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 120.01 -1.681 . . . . 0.0 109.618 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -79.09 -31.76 44.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 123.126 2.694 . . . . 0.0 112.368 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.01 -40.78 67.32 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 123.818 3.008 . . . . 0.0 107.95 171.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -71.65 -61.64 1.7 Allowed 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.66 -1.9 . . . . 0.0 106.667 168.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -81.69 57.31 3.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 118.933 -2.354 . . . . 0.0 110.401 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.2 131.89 37.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 118.452 -2.655 . . . . 0.0 107.184 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.488 1.435 0 O-C-N 120.073 -1.642 . . . . 0.0 110.409 -172.729 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.84 153.31 40.5 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 118.964 -2.335 . . . . 0.0 109.683 170.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.09 -32.38 74.06 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.576 -2.577 . . . . 0.0 110.645 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.43 -33.68 74.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 118.876 -2.39 . . . . 0.0 110.98 171.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 94.7 mt -71.59 -48.41 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 118.711 -2.493 . . . . 0.0 108.069 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.23 -46.7 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.255 -2.153 . . . . 0.0 108.442 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.6 m -58.05 -47.74 82.21 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 119.506 -1.996 . . . . 0.0 110.015 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -58.13 -42.77 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 119.236 -2.165 . . . . 0.0 110.417 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.95 -46.13 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 118.904 -2.372 . . . . 0.0 107.55 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.16 -35.55 84.79 Favored Glycine 0 C--N 1.361 1.959 0 O-C-N 118.973 -2.329 . . . . 0.0 111.447 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.66 -47.87 76.86 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 122.611 3.206 . . . . 0.0 109.734 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.8 -46.34 87.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 118.956 -2.34 . . . . 0.0 110.085 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.27 -52.16 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 119.717 -1.864 . . . . 0.0 109.743 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -57.87 -42.54 84.75 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.274 -2.141 . . . . 0.0 109.895 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -64.4 -44.7 90.46 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 118.631 -2.543 . . . . 0.0 109.451 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.7 -54.21 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 119.131 -2.231 . . . . 0.0 108.749 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.92 -65.44 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.402 -1.436 . . . . 0.0 108.631 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.31 -43.25 78.76 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.829 -1.795 . . . . 0.0 110.971 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.98 -43.22 62.47 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 118.52 -2.612 . . . . 0.0 109.511 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -34.41 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 118.218 -2.801 . . . . 0.0 110.782 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -65.56 -38.5 89.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 118.13 -2.856 . . . . 0.0 108.475 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.442 93.8 mttt -64.36 -63.77 1.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 125.459 3.754 . . . . 0.0 119.816 166.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -78.14 93.87 4.62 Favored 'General case' 0 N--CA 1.512 2.663 1 N-CA-C 85.379 -9.489 . . . . 0.0 85.379 165.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -77.45 146.8 36.29 Favored 'General case' 0 C--N 1.401 2.827 2 N-CA-C 125.254 5.279 . . . . 0.0 125.254 -156.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -79.69 75.49 6.35 Favored 'General case' 0 N--CA 1.487 1.42 1 CA-C-N 108.337 -4.029 . . . . 0.0 107.792 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 N--CA 1.487 1.422 0 O-C-N 120.209 -1.557 . . . . 0.0 109.342 -178.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.493 1.677 1 CA-C-O 90.658 -14.02 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.87 117.03 6.97 Favored 'General case' 0 N--CA 1.481 1.091 2 O-C-N 76.03 -29.169 . . . . 0.0 107.994 176.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -65.35 -26.78 68.18 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 119.056 -2.277 . . . . 0.0 110.531 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 -32.71 73.17 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 118.843 -2.411 . . . . 0.0 110.626 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.6 mt -69.61 -48.58 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 122.415 2.371 . . . . 0.0 108.041 171.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.05 -55.5 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 119.883 -1.761 . . . . 0.0 108.226 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -58.53 -67.84 0.32 Allowed 'General case' 0 C--N 1.365 1.28 0 O-C-N 119.291 -2.131 . . . . 0.0 111.047 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -67.71 -61.1 2.04 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 118.793 -2.442 . . . . 0.0 110.534 -169.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.4 mt -71.95 -37.61 61.63 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 O-C-N 119.569 -1.957 . . . . 0.0 107.159 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.47 -36.6 91.62 Favored Glycine 0 C--N 1.363 2.041 0 CA-C-N 124.586 3.357 . . . . 0.0 111.425 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.51 -40.72 95.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 124.097 3.948 . . . . 0.0 109.697 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.85 -34.9 73.72 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 118.012 -2.93 . . . . 0.0 111.396 170.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.46 -51.0 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 117.819 -3.051 . . . . 0.0 107.908 170.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -54.91 -55.55 29.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 109.356 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -82.9 -61.57 1.83 Allowed 'General case' 0 N--CA 1.485 1.325 0 O-C-N 118.716 -2.49 . . . . 0.0 110.336 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -73.91 -53.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 O-C-N 119.814 -1.804 . . . . 0.0 107.866 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.44 -42.16 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 123.439 2.836 . . . . 0.0 109.556 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.99 -42.08 79.62 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 123.703 2.956 . . . . 0.0 109.569 172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -61.16 -42.82 99.24 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 124.057 3.117 . . . . 0.0 111.766 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.05 -35.62 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 119.069 -2.269 . . . . 0.0 109.213 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -78.66 -29.61 45.83 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 122.39 2.359 . . . . 0.0 112.707 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -53.92 -37.57 63.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 117.351 -3.343 . . . . 0.0 107.883 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 119.645 -1.91 . . . . 0.0 105.997 168.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 m -86.37 62.42 7.41 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 119.411 -2.055 . . . . 0.0 110.119 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -77.19 149.63 35.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 117.634 -3.166 . . . . 0.0 109.485 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mptt . . . . . 0 C--N 1.369 1.443 0 O-C-N 120.142 -1.599 . . . . 0.0 109.206 -169.478 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -58.2 -50.22 74.3 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 119.414 -2.054 . . . . 0.0 110.138 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.3 m -58.75 -47.4 84.78 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 119.569 -1.957 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.98 -41.03 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 118.938 -2.351 . . . . 0.0 107.35 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.74 -37.24 89.52 Favored Glycine 0 C--N 1.361 1.931 0 CA-C-N 123.264 2.757 . . . . 0.0 111.16 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.9 -45.6 91.74 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 122.675 3.237 . . . . 0.0 110.018 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.36 -40.76 98.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 118.588 -2.57 . . . . 0.0 110.726 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -53.82 -55.89 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 119.091 -2.256 . . . . 0.0 108.808 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -58.4 -56.59 20.18 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 119.957 -1.715 . . . . 0.0 109.504 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -81.92 -63.6 1.35 Allowed 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.945 -2.347 . . . . 0.0 109.285 -171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -70.58 -56.95 9.15 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 O-C-N 119.772 -1.83 . . . . 0.0 107.856 -171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -68.89 -43.26 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 CA-C-N 122.299 2.318 . . . . 0.0 109.453 -170.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.44 -42.63 92.35 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 123.328 2.786 . . . . 0.0 109.248 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -61.5 -42.48 98.87 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 124.181 3.173 . . . . 0.0 111.447 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.89 -38.07 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 119.304 -2.123 . . . . 0.0 109.285 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -78.04 -27.28 48.74 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 122.868 2.576 . . . . 0.0 113.994 171.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -53.36 -38.97 63.79 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 124.843 3.474 . . . . 0.0 107.737 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -72.82 -59.1 2.87 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 168.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.486 1.365 0 O-C-N 119.022 -2.299 . . . . 0.0 110.041 -172.451 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 N--CA 1.511 2.581 0 CA-C-O 120.454 0.168 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.374 1.638 0 C-N-CA 126.671 1.988 . . . . 0.0 110.124 168.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -80.12 -20.01 45.98 Favored 'General case' 0 C--N 1.374 1.672 0 O-C-N 117.72 -3.113 . . . . 0.0 109.1 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.78 -44.2 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 123.29 2.768 . . . . 0.0 107.315 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -41.03 98.46 Favored Glycine 0 C--N 1.362 1.989 0 O-C-N 118.355 -2.715 . . . . 0.0 110.873 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.15 -43.28 95.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 122.662 3.231 . . . . 0.0 110.87 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.56 -46.72 88.06 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.254 -2.154 . . . . 0.0 109.328 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.54 -48.75 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 118.858 -2.401 . . . . 0.0 109.821 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.58 -54.32 44.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 118.88 -2.387 . . . . 0.0 109.901 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -58.82 -38.93 79.74 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 119.539 -1.975 . . . . 0.0 111.371 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -71.36 -43.59 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 119.404 -2.06 . . . . 0.0 108.494 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.21 -52.15 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 123.662 2.937 . . . . 0.0 108.569 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.21 -48.15 71.34 Favored 'General case' 0 C--N 1.366 1.294 0 O-C-N 120.021 -1.674 . . . . 0.0 110.081 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.5 m -60.8 -48.15 83.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.015 -2.303 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.07 -38.67 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 119.816 -1.802 . . . . 0.0 109.882 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.67 -32.64 28.04 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 123.635 2.925 . . . . 0.0 112.359 172.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -53.67 -38.56 64.29 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.478 2.853 . . . . 0.0 108.127 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.56 -61.41 1.81 Allowed 'General case' 0 C--N 1.369 1.45 0 O-C-N 119.395 -2.066 . . . . 0.0 106.775 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.529 0 O-C-N 118.707 -2.496 . . . . 0.0 110.734 -170.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -58.66 -66.13 0.54 Allowed 'General case' 0 C--N 1.368 1.399 0 O-C-N 117.768 -3.082 . . . . 0.0 109.651 169.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -70.96 -65.93 0.68 Allowed 'General case' 0 C--N 1.366 1.314 0 O-C-N 118.535 -2.603 . . . . 0.0 109.415 -169.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.78 -36.36 58.43 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 119.822 -1.799 . . . . 0.0 107.253 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.89 -37.9 93.74 Favored Glycine 0 C--N 1.363 2.062 0 CA-C-N 123.64 2.927 . . . . 0.0 109.943 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.54 -39.57 94.04 Favored 'General case' 0 N--CA 1.491 1.598 1 CA-C-N 124.667 4.234 . . . . 0.0 110.625 170.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.89 -39.28 80.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 118.089 -2.882 . . . . 0.0 110.91 171.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.1 t -56.75 -53.05 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 118.914 -2.366 . . . . 0.0 108.765 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -56.2 -60.38 3.58 Favored 'General case' 0 C--N 1.365 1.271 0 O-C-N 120.404 -1.435 . . . . 0.0 108.498 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -80.13 -68.42 0.68 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.274 -2.142 . . . . 0.0 109.396 -171.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.69 -55.54 16.6 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 119.763 -1.836 . . . . 0.0 108.397 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.65 -41.06 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 O-C-N 119.305 -2.122 . . . . 0.0 109.158 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.74 -39.21 93.41 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 124.556 3.344 . . . . 0.0 110.219 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -59.92 -47.05 87.37 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.696 2.953 . . . . 0.0 110.61 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -42.94 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 119.368 -2.083 . . . . 0.0 109.452 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.93 -44.1 97.0 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 118.893 -2.38 . . . . 0.0 110.498 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -58.25 -44.81 88.5 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 118.914 -2.366 . . . . 0.0 109.701 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -65.88 -42.38 90.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 119.301 -2.125 . . . . 0.0 111.448 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.489 1.487 0 O-C-N 119.132 -2.23 . . . . 0.0 111.144 -169.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 m -58.74 -70.64 0.14 Allowed 'General case' 0 C--N 1.365 1.258 0 O-C-N 118.945 -2.347 . . . . 0.0 110.676 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -61.96 -63.22 1.32 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 118.757 -2.464 . . . . 0.0 111.011 -169.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 mt -76.69 -37.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.695 -1.878 . . . . 0.0 107.638 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.16 99.55 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-N 123.906 3.048 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -65.69 -39.43 91.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 123.205 3.502 . . . . 0.0 111.112 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.66 -41.61 90.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 118.197 -2.814 . . . . 0.0 110.371 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.04 -43.65 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 118.915 -2.366 . . . . 0.0 109.277 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -57.23 -61.16 2.67 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 118.267 -2.771 . . . . 0.0 108.567 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.03 -44.52 92.3 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.518 -2.614 . . . . 0.0 111.603 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -79.54 -68.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.14 0 O-C-N 119.705 -1.872 . . . . 0.0 107.502 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.9 -42.17 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 119.104 -2.247 . . . . 0.0 110.945 -169.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.29 -42.48 88.31 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 123.921 3.055 . . . . 0.0 108.26 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -58.8 -54.88 42.07 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 123.323 2.783 . . . . 0.0 109.469 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.93 -47.01 76.56 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 O-C-N 120.08 -1.638 . . . . 0.0 110.253 -174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.32 -40.3 27.01 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 123.05 2.659 . . . . 0.0 111.697 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.25 -36.74 73.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 117.324 -3.36 . . . . 0.0 109.285 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.72 -53.76 9.62 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 122.237 2.29 . . . . 0.0 108.992 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.506 2.334 1 CA-C-O 91.437 -13.649 . . . . 0.0 112.774 175.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -59.17 -74.81 0.06 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.328 -2.108 . . . . 0.0 111.938 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -66.44 -56.02 12.92 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 119.22 -2.175 . . . . 0.0 109.98 -169.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -71.7 -40.43 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 119.388 -2.07 . . . . 0.0 108.191 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.24 -40.75 96.24 Favored Glycine 0 C--N 1.361 1.935 0 CA-C-N 123.856 3.025 . . . . 0.0 111.503 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.48 -42.5 95.86 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 123.499 3.649 . . . . 0.0 110.807 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.71 -42.48 79.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 118.698 -2.501 . . . . 0.0 109.581 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.24 -42.84 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 119.027 -2.296 . . . . 0.0 109.851 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -57.89 -47.55 82.45 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 123.407 2.821 . . . . 0.0 109.229 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -66.77 -35.16 79.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 119.211 -2.181 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.16 -44.85 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 118.683 -2.511 . . . . 0.0 108.81 172.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.43 -54.04 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.055 -2.278 . . . . 0.0 108.084 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.92 -55.25 15.17 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 121.228 1.831 . . . . 0.0 110.158 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -57.31 -58.75 6.89 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 119.815 -1.803 . . . . 0.0 110.1 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.42 -53.22 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 O-C-N 120.112 -1.617 . . . . 0.0 110.057 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.59 -44.73 77.45 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.803 -2.436 . . . . 0.0 110.7 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -58.61 -46.8 86.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 118.647 -2.533 . . . . 0.0 109.686 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -57.71 -34.97 70.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.614 -1.929 . . . . 0.0 111.108 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.488 1.443 0 O-C-N 119.216 -2.177 . . . . 0.0 109.539 -179.46 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.4 p -58.25 -43.8 88.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.011 -2.306 . . . . 0.0 110.996 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 m -59.4 -41.5 89.57 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.352 -2.092 . . . . 0.0 109.754 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.85 -40.22 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.855 -2.403 . . . . 0.0 107.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.34 -38.03 89.25 Favored Glycine 0 C--N 1.362 1.99 0 CA-C-N 123.681 2.946 . . . . 0.0 111.144 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.78 -45.57 92.06 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.118 -2.989 . . . . 0.0 109.963 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.96 -37.84 88.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 118.368 -2.707 . . . . 0.0 111.075 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.47 -54.68 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 119.024 -2.297 . . . . 0.0 108.369 171.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.01 -57.18 13.66 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 120.112 -1.618 . . . . 0.0 109.58 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -81.01 -67.07 0.81 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 118.908 -2.37 . . . . 0.0 109.416 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.89 -53.67 22.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 119.529 -1.982 . . . . 0.0 108.307 -170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -69.6 -43.36 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 119.246 -2.159 . . . . 0.0 108.908 -171.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.56 -40.0 85.9 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 124.404 3.275 . . . . 0.0 110.513 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -59.55 -47.68 84.62 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.568 2.895 . . . . 0.0 110.809 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.28 -44.44 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 119.028 -2.295 . . . . 0.0 109.837 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -60.66 -43.73 97.3 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.837 -2.414 . . . . 0.0 110.29 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.19 -48.44 80.32 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.809 -2.432 . . . . 0.0 109.443 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -60.16 -39.68 87.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.524 -1.985 . . . . 0.0 111.586 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.488 1.435 0 O-C-N 119.249 -2.157 . . . . 0.0 110.734 -172.272 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 m -58.68 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.364 1.238 0 O-C-N 118.715 -2.49 . . . . 0.0 110.145 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -65.69 -61.35 2.13 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 118.164 -2.835 . . . . 0.0 110.388 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.92 -38.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 119.704 -1.873 . . . . 0.0 108.025 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.87 92.81 Favored Glycine 0 C--N 1.362 2.027 0 CA-C-N 123.602 2.91 . . . . 0.0 110.556 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 124.039 3.919 . . . . 0.0 111.062 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -56.33 -42.95 78.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 118.332 -2.73 . . . . 0.0 109.854 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.87 -39.87 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 119.007 -2.308 . . . . 0.0 110.087 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -57.06 -49.08 76.96 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.365 2.802 . . . . 0.0 108.466 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -65.63 -35.91 82.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 119.352 -2.093 . . . . 0.0 112.266 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.77 -48.88 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 119.025 -2.297 . . . . 0.0 108.251 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.71 -48.27 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 118.846 -2.409 . . . . 0.0 109.171 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -54.23 -50.61 66.76 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.71 -1.869 . . . . 0.0 109.008 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -59.88 -50.15 74.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 119.458 -2.026 . . . . 0.0 110.501 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.4 -37.06 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 120.01 -1.681 . . . . 0.0 109.618 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -79.09 -31.76 44.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 123.126 2.694 . . . . 0.0 112.368 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.01 -40.78 67.32 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 123.818 3.008 . . . . 0.0 107.95 171.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -71.65 -61.64 1.7 Allowed 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.66 -1.9 . . . . 0.0 106.667 168.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.423 0 O-C-N 118.933 -2.354 . . . . 0.0 110.401 -170.448 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.6 m -58.05 -47.74 82.21 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 119.506 -1.996 . . . . 0.0 110.015 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -58.13 -42.77 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 119.236 -2.165 . . . . 0.0 110.417 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.95 -46.13 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 118.904 -2.372 . . . . 0.0 107.55 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.16 -35.55 84.79 Favored Glycine 0 C--N 1.361 1.959 0 O-C-N 118.973 -2.329 . . . . 0.0 111.447 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.66 -47.87 76.86 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 122.611 3.206 . . . . 0.0 109.734 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.8 -46.34 87.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 118.956 -2.34 . . . . 0.0 110.085 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.27 -52.16 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 119.717 -1.864 . . . . 0.0 109.743 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -57.87 -42.54 84.75 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.274 -2.141 . . . . 0.0 109.895 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -64.4 -44.7 90.46 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 118.631 -2.543 . . . . 0.0 109.451 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.7 -54.21 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 119.131 -2.231 . . . . 0.0 108.749 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.92 -65.44 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.402 -1.436 . . . . 0.0 108.631 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.31 -43.25 78.76 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.829 -1.795 . . . . 0.0 110.971 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.98 -43.22 62.47 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 118.52 -2.612 . . . . 0.0 109.511 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 24' ' ' THR . 94.3 t -59.13 -34.41 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 118.218 -2.801 . . . . 0.0 110.782 169.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.56 -38.5 89.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 118.13 -2.856 . . . . 0.0 108.475 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.442 93.8 mttt -64.36 -63.77 1.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 125.459 3.754 . . . . 0.0 119.816 166.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -78.14 93.87 4.62 Favored 'General case' 0 N--CA 1.512 2.663 1 N-CA-C 85.379 -9.489 . . . . 0.0 85.379 165.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 24.3 m . . . . . 0 C--N 1.401 2.827 2 N-CA-C 125.254 5.279 . . . . 0.0 125.254 -156.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -58.53 -67.84 0.32 Allowed 'General case' 0 C--N 1.365 1.28 0 O-C-N 119.291 -2.131 . . . . 0.0 111.047 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -67.71 -61.1 2.04 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 118.793 -2.442 . . . . 0.0 110.534 -169.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.4 mt -71.95 -37.61 61.63 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 O-C-N 119.569 -1.957 . . . . 0.0 107.159 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.47 -36.6 91.62 Favored Glycine 0 C--N 1.363 2.041 0 CA-C-N 124.586 3.357 . . . . 0.0 111.425 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.51 -40.72 95.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 124.097 3.948 . . . . 0.0 109.697 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.85 -34.9 73.72 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 118.012 -2.93 . . . . 0.0 111.396 170.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.46 -51.0 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 117.819 -3.051 . . . . 0.0 107.908 170.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -54.91 -55.55 29.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 109.356 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -82.9 -61.57 1.83 Allowed 'General case' 0 N--CA 1.485 1.325 0 O-C-N 118.716 -2.49 . . . . 0.0 110.336 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -73.91 -53.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 O-C-N 119.814 -1.804 . . . . 0.0 107.866 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.44 -42.16 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 123.439 2.836 . . . . 0.0 109.556 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.99 -42.08 79.62 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 123.703 2.956 . . . . 0.0 109.569 172.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -61.16 -42.82 99.24 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 124.057 3.117 . . . . 0.0 111.766 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.05 -35.62 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 119.069 -2.269 . . . . 0.0 109.213 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -78.66 -29.61 45.83 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 122.39 2.359 . . . . 0.0 112.707 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -53.92 -37.57 63.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 117.351 -3.343 . . . . 0.0 107.883 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 119.645 -1.91 . . . . 0.0 105.997 168.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.485 1.301 0 O-C-N 119.411 -2.055 . . . . 0.0 110.119 -172.192 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 119.013 -0.518 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.46 95.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 118.482 -2.636 . . . . 0.0 110.752 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.67 -35.33 80.46 Favored 'General case' 0 C--N 1.369 1.414 0 O-C-N 118.941 -2.349 . . . . 0.0 110.411 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.7 -37.61 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.821 -2.424 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.27 -46.88 76.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 119.226 -2.171 . . . . 0.0 108.501 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.73 -47.28 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 119.035 -2.29 . . . . 0.0 108.709 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -58.2 -50.22 74.3 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 119.414 -2.054 . . . . 0.0 110.138 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.3 m -58.75 -47.4 84.78 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 119.569 -1.957 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.98 -41.03 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 118.938 -2.351 . . . . 0.0 107.35 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.74 -37.24 89.52 Favored Glycine 0 C--N 1.361 1.931 0 CA-C-N 123.264 2.757 . . . . 0.0 111.16 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.9 -45.6 91.74 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 122.675 3.237 . . . . 0.0 110.018 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.36 -40.76 98.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 118.588 -2.57 . . . . 0.0 110.726 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -53.82 -55.89 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 119.091 -2.256 . . . . 0.0 108.808 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -58.4 -56.59 20.18 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 119.957 -1.715 . . . . 0.0 109.504 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -81.92 -63.6 1.35 Allowed 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.945 -2.347 . . . . 0.0 109.285 -171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -70.58 -56.95 9.15 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 O-C-N 119.772 -1.83 . . . . 0.0 107.856 -171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -68.89 -43.26 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 CA-C-N 122.299 2.318 . . . . 0.0 109.453 -170.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.44 -42.63 92.35 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 123.328 2.786 . . . . 0.0 109.248 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -61.5 -42.48 98.87 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 124.181 3.173 . . . . 0.0 111.447 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.89 -38.07 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 119.304 -2.123 . . . . 0.0 109.285 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -78.04 -27.28 48.74 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 122.868 2.576 . . . . 0.0 113.994 171.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -53.36 -38.97 63.79 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 124.843 3.474 . . . . 0.0 107.737 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -72.82 -59.1 2.87 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 168.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -84.25 59.29 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.022 -2.299 . . . . 0.0 110.041 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -78.84 -67.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 118.992 -2.317 . . . . 0.0 106.222 170.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 C--N 1.373 1.604 0 O-C-N 119.86 -1.775 . . . . 0.0 111.339 172.078 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.36 48.74 0.14 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 118.51 -2.619 . . . . 0.0 111.937 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' HA ' HG22 ' A' ' 5' ' ' ILE 0.497 11.0 pt20 -75.32 -56.04 5.11 Favored 'General case' 0 N--CA 1.514 2.765 3 CA-C-O 87.789 -15.386 . . . . 0.0 125.176 -177.467 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.74 100.82 0.31 Allowed 'General case' 0 N--CA 1.514 2.753 3 O-C-N 76.497 -28.877 . . . . 0.0 88.708 169.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 3' ' ' GLN . 6.4 pt -69.97 -171.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.564 0 CA-C-N 110.586 -3.006 . . . . 0.0 117.358 -160.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -10.67 -42.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.581 0 C-N-CA 124.019 0.928 . . . . 0.0 111.155 168.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.374 1.638 0 C-N-CA 126.671 1.988 . . . . 0.0 110.124 168.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -80.12 -20.01 45.98 Favored 'General case' 0 C--N 1.374 1.672 0 O-C-N 117.72 -3.113 . . . . 0.0 109.1 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.78 -44.2 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 123.29 2.768 . . . . 0.0 107.315 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -41.03 98.46 Favored Glycine 0 C--N 1.362 1.989 0 O-C-N 118.355 -2.715 . . . . 0.0 110.873 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.15 -43.28 95.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 122.662 3.231 . . . . 0.0 110.87 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.56 -46.72 88.06 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.254 -2.154 . . . . 0.0 109.328 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.54 -48.75 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 118.858 -2.401 . . . . 0.0 109.821 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.58 -54.32 44.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 118.88 -2.387 . . . . 0.0 109.901 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -58.82 -38.93 79.74 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 119.539 -1.975 . . . . 0.0 111.371 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -71.36 -43.59 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 119.404 -2.06 . . . . 0.0 108.494 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.21 -52.15 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 123.662 2.937 . . . . 0.0 108.569 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.21 -48.15 71.34 Favored 'General case' 0 C--N 1.366 1.294 0 O-C-N 120.021 -1.674 . . . . 0.0 110.081 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.5 m -60.8 -48.15 83.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.015 -2.303 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.07 -38.67 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 119.816 -1.802 . . . . 0.0 109.882 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.67 -32.64 28.04 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 123.635 2.925 . . . . 0.0 112.359 172.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -53.67 -38.56 64.29 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.478 2.853 . . . . 0.0 108.127 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.56 -61.41 1.81 Allowed 'General case' 0 C--N 1.369 1.45 0 O-C-N 119.395 -2.066 . . . . 0.0 106.775 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -82.24 55.37 2.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 118.707 -2.496 . . . . 0.0 110.734 -170.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -78.49 145.77 34.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 118.743 -2.473 . . . . 0.0 107.978 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 C--N 1.368 1.411 0 O-C-N 119.848 -1.782 . . . . 0.0 110.614 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.2 96.36 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 117.338 -3.351 . . . . 0.0 112.649 -169.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.26 -89.82 0.02 OUTLIER 'General case' 0 C--N 1.369 1.453 0 O-C-N 118.96 -2.338 . . . . 0.0 110.939 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.39 -38.57 81.44 Favored 'General case' 0 C--N 1.371 1.51 0 O-C-N 118.459 -2.65 . . . . 0.0 111.898 -169.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -73.25 -54.17 16.32 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 CA-C-N 121.699 2.045 . . . . 0.0 108.805 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.5 mt -71.88 -34.63 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 124.36 3.255 . . . . 0.0 107.387 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -58.66 -66.13 0.54 Allowed 'General case' 0 C--N 1.368 1.399 0 O-C-N 117.768 -3.082 . . . . 0.0 109.651 169.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -70.96 -65.93 0.68 Allowed 'General case' 0 C--N 1.366 1.314 0 O-C-N 118.535 -2.603 . . . . 0.0 109.415 -169.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.78 -36.36 58.43 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 119.822 -1.799 . . . . 0.0 107.253 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.89 -37.9 93.74 Favored Glycine 0 C--N 1.363 2.062 0 CA-C-N 123.64 2.927 . . . . 0.0 109.943 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.54 -39.57 94.04 Favored 'General case' 0 N--CA 1.491 1.598 1 CA-C-N 124.667 4.234 . . . . 0.0 110.625 170.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.89 -39.28 80.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 118.089 -2.882 . . . . 0.0 110.91 171.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.1 t -56.75 -53.05 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 118.914 -2.366 . . . . 0.0 108.765 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -56.2 -60.38 3.58 Favored 'General case' 0 C--N 1.365 1.271 0 O-C-N 120.404 -1.435 . . . . 0.0 108.498 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -80.13 -68.42 0.68 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.274 -2.142 . . . . 0.0 109.396 -171.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.69 -55.54 16.6 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 119.763 -1.836 . . . . 0.0 108.397 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.65 -41.06 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 O-C-N 119.305 -2.122 . . . . 0.0 109.158 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.74 -39.21 93.41 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 124.556 3.344 . . . . 0.0 110.219 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -59.92 -47.05 87.37 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.696 2.953 . . . . 0.0 110.61 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -42.94 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 119.368 -2.083 . . . . 0.0 109.452 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.93 -44.1 97.0 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 118.893 -2.38 . . . . 0.0 110.498 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -58.25 -44.81 88.5 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 118.914 -2.366 . . . . 0.0 109.701 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -65.88 -42.38 90.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 119.301 -2.125 . . . . 0.0 111.448 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.8 m -79.97 -46.28 16.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.132 -2.23 . . . . 0.0 111.144 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.0 139.55 32.46 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 119.763 -1.835 . . . . 0.0 109.093 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.374 1.655 0 O-C-N 120.112 -1.618 . . . . 0.0 108.783 -172.017 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.1 mtm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.48 67.67 0.53 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 119.651 -1.906 . . . . 0.0 108.827 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.45 -35.17 80.13 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 118.899 -2.376 . . . . 0.0 111.222 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.22 -36.28 79.27 Favored 'General case' 0 C--N 1.368 1.402 0 O-C-N 118.856 -2.402 . . . . 0.0 110.703 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.5 -49.79 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 121.559 1.981 . . . . 0.0 108.595 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -57.42 -50.97 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 119.787 -1.821 . . . . 0.0 108.269 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 m -58.74 -70.64 0.14 Allowed 'General case' 0 C--N 1.365 1.258 0 O-C-N 118.945 -2.347 . . . . 0.0 110.676 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -61.96 -63.22 1.32 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 118.757 -2.464 . . . . 0.0 111.011 -169.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 mt -76.69 -37.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.695 -1.878 . . . . 0.0 107.638 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.16 99.55 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-N 123.906 3.048 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -65.69 -39.43 91.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 123.205 3.502 . . . . 0.0 111.112 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.66 -41.61 90.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 118.197 -2.814 . . . . 0.0 110.371 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.04 -43.65 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 118.915 -2.366 . . . . 0.0 109.277 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -57.23 -61.16 2.67 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 118.267 -2.771 . . . . 0.0 108.567 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.03 -44.52 92.3 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.518 -2.614 . . . . 0.0 111.603 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -79.54 -68.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.14 0 O-C-N 119.705 -1.872 . . . . 0.0 107.502 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.9 -42.17 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 119.104 -2.247 . . . . 0.0 110.945 -169.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.29 -42.48 88.31 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 123.921 3.055 . . . . 0.0 108.26 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -58.8 -54.88 42.07 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 123.323 2.783 . . . . 0.0 109.469 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.93 -47.01 76.56 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 O-C-N 120.08 -1.638 . . . . 0.0 110.253 -174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.32 -40.3 27.01 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 123.05 2.659 . . . . 0.0 111.697 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.25 -36.74 73.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 117.324 -3.36 . . . . 0.0 109.285 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.72 -53.76 9.62 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 122.237 2.29 . . . . 0.0 108.992 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m -87.08 66.59 9.42 Favored 'General case' 0 N--CA 1.506 2.334 1 CA-C-O 91.437 -13.649 . . . . 0.0 112.774 175.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -79.19 -57.56 3.66 Favored 'General case' 0 N--CA 1.483 1.205 2 O-C-N 74.235 -30.291 . . . . 0.0 108.343 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.368 1.393 0 O-C-N 120.14 -1.6 . . . . 0.0 111.19 177.006 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.12 81.78 0.7 Allowed 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.387 -2.071 . . . . 0.0 105.853 169.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.14 -33.57 76.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 119.499 -2.001 . . . . 0.0 112.41 -169.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.84 -32.93 70.12 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-N 123.911 3.051 . . . . 0.0 111.421 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.65 -46.39 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 117.928 -2.983 . . . . 0.0 107.016 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.04 -69.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 119.539 -1.976 . . . . 0.0 107.768 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -59.17 -74.81 0.06 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.328 -2.108 . . . . 0.0 111.938 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -66.44 -56.02 12.92 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 119.22 -2.175 . . . . 0.0 109.98 -169.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -71.7 -40.43 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 119.388 -2.07 . . . . 0.0 108.191 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.24 -40.75 96.24 Favored Glycine 0 C--N 1.361 1.935 0 CA-C-N 123.856 3.025 . . . . 0.0 111.503 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.48 -42.5 95.86 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 123.499 3.649 . . . . 0.0 110.807 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.71 -42.48 79.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 118.698 -2.501 . . . . 0.0 109.581 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.24 -42.84 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 119.027 -2.296 . . . . 0.0 109.851 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -57.89 -47.55 82.45 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 123.407 2.821 . . . . 0.0 109.229 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -66.77 -35.16 79.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 119.211 -2.181 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.16 -44.85 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 118.683 -2.511 . . . . 0.0 108.81 172.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.43 -54.04 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.055 -2.278 . . . . 0.0 108.084 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.92 -55.25 15.17 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 121.228 1.831 . . . . 0.0 110.158 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -57.31 -58.75 6.89 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 119.815 -1.803 . . . . 0.0 110.1 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.42 -53.22 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 O-C-N 120.112 -1.617 . . . . 0.0 110.057 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -67.59 -44.73 77.45 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.803 -2.436 . . . . 0.0 110.7 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -58.61 -46.8 86.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 118.647 -2.533 . . . . 0.0 109.686 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -57.71 -34.97 70.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.614 -1.929 . . . . 0.0 111.108 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -78.68 -31.69 46.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 119.216 -2.177 . . . . 0.0 109.539 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -79.04 -39.0 35.1 Favored 'General case' 0 C--N 1.367 1.337 0 O-C-N 118.777 -2.452 . . . . 0.0 110.191 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.49 1.528 0 CA-C-N 122.559 2.436 . . . . 0.0 109.86 -177.725 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.32 75.57 0.73 Allowed 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.685 -2.509 . . . . 0.0 108.355 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -65.21 -29.12 69.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 119.055 -2.278 . . . . 0.0 111.134 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.91 -41.87 82.01 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 118.744 -2.472 . . . . 0.0 109.401 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.8 -41.99 77.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 119.727 -1.858 . . . . 0.0 108.438 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -47.24 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 118.499 -2.626 . . . . 0.0 108.754 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.4 p -58.25 -43.8 88.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.011 -2.306 . . . . 0.0 110.996 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 m -59.4 -41.5 89.57 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.352 -2.092 . . . . 0.0 109.754 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.85 -40.22 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.855 -2.403 . . . . 0.0 107.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.34 -38.03 89.25 Favored Glycine 0 C--N 1.362 1.99 0 CA-C-N 123.681 2.946 . . . . 0.0 111.144 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.78 -45.57 92.06 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.118 -2.989 . . . . 0.0 109.963 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.96 -37.84 88.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 118.368 -2.707 . . . . 0.0 111.075 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.47 -54.68 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 119.024 -2.297 . . . . 0.0 108.369 171.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.01 -57.18 13.66 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 120.112 -1.618 . . . . 0.0 109.58 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -81.01 -67.07 0.81 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 118.908 -2.37 . . . . 0.0 109.416 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.89 -53.67 22.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 119.529 -1.982 . . . . 0.0 108.307 -170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -69.6 -43.36 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 119.246 -2.159 . . . . 0.0 108.908 -171.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.56 -40.0 85.9 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 124.404 3.275 . . . . 0.0 110.513 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -59.55 -47.68 84.62 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.568 2.895 . . . . 0.0 110.809 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.28 -44.44 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 119.028 -2.295 . . . . 0.0 109.837 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -60.66 -43.73 97.3 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.837 -2.414 . . . . 0.0 110.29 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.19 -48.44 80.32 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.809 -2.432 . . . . 0.0 109.443 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -60.16 -39.68 87.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.524 -1.985 . . . . 0.0 111.586 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 m -79.57 -41.41 27.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 119.249 -2.157 . . . . 0.0 110.734 -172.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.61 76.15 6.24 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.192 -2.193 . . . . 0.0 107.759 -172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.367 1.361 0 C-N-CA 124.992 1.317 . . . . 0.0 108.249 177.022 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 mtp . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.82 78.95 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.653 -1.904 . . . . 0.0 110.273 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.61 -43.87 88.29 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 118.846 -2.409 . . . . 0.0 109.825 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -68.83 -35.37 76.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 119.279 -2.138 . . . . 0.0 111.129 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 71.9 mt -68.77 -55.42 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 119.787 -1.821 . . . . 0.0 107.874 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt -57.45 -41.94 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 119.19 -2.194 . . . . 0.0 109.02 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 m -58.68 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.364 1.238 0 O-C-N 118.715 -2.49 . . . . 0.0 110.145 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -65.69 -61.35 2.13 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 118.164 -2.835 . . . . 0.0 110.388 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.92 -38.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 119.704 -1.873 . . . . 0.0 108.025 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.87 92.81 Favored Glycine 0 C--N 1.362 2.027 0 CA-C-N 123.602 2.91 . . . . 0.0 110.556 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 124.039 3.919 . . . . 0.0 111.062 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -56.33 -42.95 78.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 118.332 -2.73 . . . . 0.0 109.854 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.87 -39.87 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 119.007 -2.308 . . . . 0.0 110.087 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -57.06 -49.08 76.96 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.365 2.802 . . . . 0.0 108.466 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -65.63 -35.91 82.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 119.352 -2.093 . . . . 0.0 112.266 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.77 -48.88 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 119.025 -2.297 . . . . 0.0 108.251 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.71 -48.27 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 118.846 -2.409 . . . . 0.0 109.171 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -54.23 -50.61 66.76 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.71 -1.869 . . . . 0.0 109.008 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -59.88 -50.15 74.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 119.458 -2.026 . . . . 0.0 110.501 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.4 -37.06 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 120.01 -1.681 . . . . 0.0 109.618 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -79.09 -31.76 44.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 123.126 2.694 . . . . 0.0 112.368 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.01 -40.78 67.32 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 123.818 3.008 . . . . 0.0 107.95 171.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -71.65 -61.64 1.7 Allowed 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.66 -1.9 . . . . 0.0 106.667 168.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -81.69 57.31 3.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 118.933 -2.354 . . . . 0.0 110.401 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.2 131.89 37.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 118.452 -2.655 . . . . 0.0 107.184 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.488 1.435 0 O-C-N 120.073 -1.642 . . . . 0.0 110.409 -172.729 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.84 153.31 40.5 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 118.964 -2.335 . . . . 0.0 109.683 170.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.09 -32.38 74.06 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.576 -2.577 . . . . 0.0 110.645 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.43 -33.68 74.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 118.876 -2.39 . . . . 0.0 110.98 171.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 94.7 mt -71.59 -48.41 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 118.711 -2.493 . . . . 0.0 108.069 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.23 -46.7 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.255 -2.153 . . . . 0.0 108.442 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.6 m -58.05 -47.74 82.21 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 119.506 -1.996 . . . . 0.0 110.015 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -58.13 -42.77 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 119.236 -2.165 . . . . 0.0 110.417 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.95 -46.13 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 118.904 -2.372 . . . . 0.0 107.55 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.16 -35.55 84.79 Favored Glycine 0 C--N 1.361 1.959 0 O-C-N 118.973 -2.329 . . . . 0.0 111.447 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.66 -47.87 76.86 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 122.611 3.206 . . . . 0.0 109.734 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.8 -46.34 87.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 118.956 -2.34 . . . . 0.0 110.085 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.27 -52.16 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 119.717 -1.864 . . . . 0.0 109.743 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -57.87 -42.54 84.75 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.274 -2.141 . . . . 0.0 109.895 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -64.4 -44.7 90.46 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 118.631 -2.543 . . . . 0.0 109.451 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.7 -54.21 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 119.131 -2.231 . . . . 0.0 108.749 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.92 -65.44 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.402 -1.436 . . . . 0.0 108.631 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.31 -43.25 78.76 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.829 -1.795 . . . . 0.0 110.971 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.98 -43.22 62.47 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 118.52 -2.612 . . . . 0.0 109.511 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 24' ' ' THR . 94.3 t -59.13 -34.41 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 118.218 -2.801 . . . . 0.0 110.782 169.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -65.56 -38.5 89.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 118.13 -2.856 . . . . 0.0 108.475 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.442 93.8 mttt -64.36 -63.77 1.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 125.459 3.754 . . . . 0.0 119.816 166.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -78.14 93.87 4.62 Favored 'General case' 0 N--CA 1.512 2.663 1 N-CA-C 85.379 -9.489 . . . . 0.0 85.379 165.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 24.3 m -77.45 146.8 36.29 Favored 'General case' 0 C--N 1.401 2.827 2 N-CA-C 125.254 5.279 . . . . 0.0 125.254 -156.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -79.69 75.49 6.35 Favored 'General case' 0 N--CA 1.487 1.42 1 CA-C-N 108.337 -4.029 . . . . 0.0 107.792 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 N--CA 1.487 1.422 0 O-C-N 120.209 -1.557 . . . . 0.0 109.342 -178.889 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.493 1.677 1 CA-C-O 90.658 -14.02 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.87 117.03 6.97 Favored 'General case' 0 N--CA 1.481 1.091 2 O-C-N 76.03 -29.169 . . . . 0.0 107.994 176.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -65.35 -26.78 68.18 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 119.056 -2.277 . . . . 0.0 110.531 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 -32.71 73.17 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 118.843 -2.411 . . . . 0.0 110.626 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.6 mt -69.61 -48.58 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 122.415 2.371 . . . . 0.0 108.041 171.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.05 -55.5 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 119.883 -1.761 . . . . 0.0 108.226 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -58.53 -67.84 0.32 Allowed 'General case' 0 C--N 1.365 1.28 0 O-C-N 119.291 -2.131 . . . . 0.0 111.047 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -67.71 -61.1 2.04 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 118.793 -2.442 . . . . 0.0 110.534 -169.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.4 mt -71.95 -37.61 61.63 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 O-C-N 119.569 -1.957 . . . . 0.0 107.159 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.47 -36.6 91.62 Favored Glycine 0 C--N 1.363 2.041 0 CA-C-N 124.586 3.357 . . . . 0.0 111.425 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.51 -40.72 95.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 124.097 3.948 . . . . 0.0 109.697 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.85 -34.9 73.72 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 118.012 -2.93 . . . . 0.0 111.396 170.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.46 -51.0 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 117.819 -3.051 . . . . 0.0 107.908 170.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -54.91 -55.55 29.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 109.356 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -82.9 -61.57 1.83 Allowed 'General case' 0 N--CA 1.485 1.325 0 O-C-N 118.716 -2.49 . . . . 0.0 110.336 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -73.91 -53.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 O-C-N 119.814 -1.804 . . . . 0.0 107.866 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.44 -42.16 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 123.439 2.836 . . . . 0.0 109.556 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.99 -42.08 79.62 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 123.703 2.956 . . . . 0.0 109.569 172.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -61.16 -42.82 99.24 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 124.057 3.117 . . . . 0.0 111.766 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.05 -35.62 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 119.069 -2.269 . . . . 0.0 109.213 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -78.66 -29.61 45.83 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 122.39 2.359 . . . . 0.0 112.707 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -53.92 -37.57 63.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 117.351 -3.343 . . . . 0.0 107.883 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 119.645 -1.91 . . . . 0.0 105.997 168.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 m -86.37 62.42 7.41 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 119.411 -2.055 . . . . 0.0 110.119 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -77.19 149.63 35.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 117.634 -3.166 . . . . 0.0 109.485 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mptt . . . . . 0 C--N 1.369 1.443 0 O-C-N 120.142 -1.599 . . . . 0.0 109.206 -169.478 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -58.2 -50.22 74.3 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 119.414 -2.054 . . . . 0.0 110.138 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.3 m -58.75 -47.4 84.78 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 119.569 -1.957 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.98 -41.03 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 118.938 -2.351 . . . . 0.0 107.35 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.74 -37.24 89.52 Favored Glycine 0 C--N 1.361 1.931 0 CA-C-N 123.264 2.757 . . . . 0.0 111.16 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.9 -45.6 91.74 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 122.675 3.237 . . . . 0.0 110.018 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.36 -40.76 98.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 118.588 -2.57 . . . . 0.0 110.726 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -53.82 -55.89 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 119.091 -2.256 . . . . 0.0 108.808 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -58.4 -56.59 20.18 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 119.957 -1.715 . . . . 0.0 109.504 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -81.92 -63.6 1.35 Allowed 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.945 -2.347 . . . . 0.0 109.285 -171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -70.58 -56.95 9.15 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 O-C-N 119.772 -1.83 . . . . 0.0 107.856 -171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -68.89 -43.26 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 CA-C-N 122.299 2.318 . . . . 0.0 109.453 -170.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.44 -42.63 92.35 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 123.328 2.786 . . . . 0.0 109.248 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -61.5 -42.48 98.87 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 124.181 3.173 . . . . 0.0 111.447 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.89 -38.07 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 119.304 -2.123 . . . . 0.0 109.285 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -78.04 -27.28 48.74 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 122.868 2.576 . . . . 0.0 113.994 171.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -53.36 -38.97 63.79 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 124.843 3.474 . . . . 0.0 107.737 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -72.82 -59.1 2.87 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 168.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.486 1.365 0 O-C-N 119.022 -2.299 . . . . 0.0 110.041 -172.451 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 N--CA 1.511 2.581 0 CA-C-O 120.454 0.168 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.374 1.638 0 C-N-CA 126.671 1.988 . . . . 0.0 110.124 168.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -80.12 -20.01 45.98 Favored 'General case' 0 C--N 1.374 1.672 0 O-C-N 117.72 -3.113 . . . . 0.0 109.1 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.78 -44.2 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 123.29 2.768 . . . . 0.0 107.315 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -41.03 98.46 Favored Glycine 0 C--N 1.362 1.989 0 O-C-N 118.355 -2.715 . . . . 0.0 110.873 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.15 -43.28 95.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 122.662 3.231 . . . . 0.0 110.87 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.56 -46.72 88.06 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.254 -2.154 . . . . 0.0 109.328 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.54 -48.75 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 118.858 -2.401 . . . . 0.0 109.821 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.58 -54.32 44.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 118.88 -2.387 . . . . 0.0 109.901 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -58.82 -38.93 79.74 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 119.539 -1.975 . . . . 0.0 111.371 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -71.36 -43.59 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 119.404 -2.06 . . . . 0.0 108.494 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.21 -52.15 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 123.662 2.937 . . . . 0.0 108.569 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.21 -48.15 71.34 Favored 'General case' 0 C--N 1.366 1.294 0 O-C-N 120.021 -1.674 . . . . 0.0 110.081 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.5 m -60.8 -48.15 83.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.015 -2.303 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.07 -38.67 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 119.816 -1.802 . . . . 0.0 109.882 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.67 -32.64 28.04 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 123.635 2.925 . . . . 0.0 112.359 172.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -53.67 -38.56 64.29 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.478 2.853 . . . . 0.0 108.127 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.56 -61.41 1.81 Allowed 'General case' 0 C--N 1.369 1.45 0 O-C-N 119.395 -2.066 . . . . 0.0 106.775 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.529 0 O-C-N 118.707 -2.496 . . . . 0.0 110.734 -170.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -58.66 -66.13 0.54 Allowed 'General case' 0 C--N 1.368 1.399 0 O-C-N 117.768 -3.082 . . . . 0.0 109.651 169.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -70.96 -65.93 0.68 Allowed 'General case' 0 C--N 1.366 1.314 0 O-C-N 118.535 -2.603 . . . . 0.0 109.415 -169.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.78 -36.36 58.43 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 119.822 -1.799 . . . . 0.0 107.253 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.89 -37.9 93.74 Favored Glycine 0 C--N 1.363 2.062 0 CA-C-N 123.64 2.927 . . . . 0.0 109.943 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.54 -39.57 94.04 Favored 'General case' 0 N--CA 1.491 1.598 1 CA-C-N 124.667 4.234 . . . . 0.0 110.625 170.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.89 -39.28 80.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 118.089 -2.882 . . . . 0.0 110.91 171.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.1 t -56.75 -53.05 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 118.914 -2.366 . . . . 0.0 108.765 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -56.2 -60.38 3.58 Favored 'General case' 0 C--N 1.365 1.271 0 O-C-N 120.404 -1.435 . . . . 0.0 108.498 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -80.13 -68.42 0.68 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.274 -2.142 . . . . 0.0 109.396 -171.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.69 -55.54 16.6 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 119.763 -1.836 . . . . 0.0 108.397 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.65 -41.06 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 O-C-N 119.305 -2.122 . . . . 0.0 109.158 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.74 -39.21 93.41 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 124.556 3.344 . . . . 0.0 110.219 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -59.92 -47.05 87.37 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.696 2.953 . . . . 0.0 110.61 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -42.94 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 119.368 -2.083 . . . . 0.0 109.452 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.93 -44.1 97.0 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 118.893 -2.38 . . . . 0.0 110.498 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -58.25 -44.81 88.5 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 118.914 -2.366 . . . . 0.0 109.701 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -65.88 -42.38 90.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 119.301 -2.125 . . . . 0.0 111.448 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.489 1.487 0 O-C-N 119.132 -2.23 . . . . 0.0 111.144 -169.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 m -58.74 -70.64 0.14 Allowed 'General case' 0 C--N 1.365 1.258 0 O-C-N 118.945 -2.347 . . . . 0.0 110.676 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -61.96 -63.22 1.32 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 118.757 -2.464 . . . . 0.0 111.011 -169.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 mt -76.69 -37.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.695 -1.878 . . . . 0.0 107.638 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.16 99.55 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-N 123.906 3.048 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -65.69 -39.43 91.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 123.205 3.502 . . . . 0.0 111.112 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.66 -41.61 90.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 118.197 -2.814 . . . . 0.0 110.371 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.04 -43.65 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 118.915 -2.366 . . . . 0.0 109.277 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -57.23 -61.16 2.67 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 118.267 -2.771 . . . . 0.0 108.567 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.03 -44.52 92.3 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.518 -2.614 . . . . 0.0 111.603 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -79.54 -68.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.14 0 O-C-N 119.705 -1.872 . . . . 0.0 107.502 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.9 -42.17 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 119.104 -2.247 . . . . 0.0 110.945 -169.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.29 -42.48 88.31 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 123.921 3.055 . . . . 0.0 108.26 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -58.8 -54.88 42.07 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 123.323 2.783 . . . . 0.0 109.469 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.93 -47.01 76.56 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 O-C-N 120.08 -1.638 . . . . 0.0 110.253 -174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.32 -40.3 27.01 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 123.05 2.659 . . . . 0.0 111.697 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.25 -36.74 73.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 117.324 -3.36 . . . . 0.0 109.285 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.72 -53.76 9.62 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 122.237 2.29 . . . . 0.0 108.992 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.506 2.334 1 CA-C-O 91.437 -13.649 . . . . 0.0 112.774 175.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -59.17 -74.81 0.06 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.328 -2.108 . . . . 0.0 111.938 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -66.44 -56.02 12.92 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 119.22 -2.175 . . . . 0.0 109.98 -169.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -71.7 -40.43 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 119.388 -2.07 . . . . 0.0 108.191 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.24 -40.75 96.24 Favored Glycine 0 C--N 1.361 1.935 0 CA-C-N 123.856 3.025 . . . . 0.0 111.503 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.48 -42.5 95.86 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 123.499 3.649 . . . . 0.0 110.807 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.71 -42.48 79.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 118.698 -2.501 . . . . 0.0 109.581 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.24 -42.84 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 119.027 -2.296 . . . . 0.0 109.851 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -57.89 -47.55 82.45 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 123.407 2.821 . . . . 0.0 109.229 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -66.77 -35.16 79.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 119.211 -2.181 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.16 -44.85 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 118.683 -2.511 . . . . 0.0 108.81 172.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.43 -54.04 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.055 -2.278 . . . . 0.0 108.084 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.92 -55.25 15.17 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 121.228 1.831 . . . . 0.0 110.158 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -57.31 -58.75 6.89 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 119.815 -1.803 . . . . 0.0 110.1 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.42 -53.22 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 O-C-N 120.112 -1.617 . . . . 0.0 110.057 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.59 -44.73 77.45 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.803 -2.436 . . . . 0.0 110.7 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -58.61 -46.8 86.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 118.647 -2.533 . . . . 0.0 109.686 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -57.71 -34.97 70.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.614 -1.929 . . . . 0.0 111.108 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.488 1.443 0 O-C-N 119.216 -2.177 . . . . 0.0 109.539 -179.46 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.4 p -58.25 -43.8 88.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.011 -2.306 . . . . 0.0 110.996 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 m -59.4 -41.5 89.57 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.352 -2.092 . . . . 0.0 109.754 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.85 -40.22 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.855 -2.403 . . . . 0.0 107.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.34 -38.03 89.25 Favored Glycine 0 C--N 1.362 1.99 0 CA-C-N 123.681 2.946 . . . . 0.0 111.144 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.78 -45.57 92.06 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.118 -2.989 . . . . 0.0 109.963 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.96 -37.84 88.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 118.368 -2.707 . . . . 0.0 111.075 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.47 -54.68 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 119.024 -2.297 . . . . 0.0 108.369 171.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.01 -57.18 13.66 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 120.112 -1.618 . . . . 0.0 109.58 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -81.01 -67.07 0.81 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 118.908 -2.37 . . . . 0.0 109.416 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.89 -53.67 22.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 119.529 -1.982 . . . . 0.0 108.307 -170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -69.6 -43.36 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 119.246 -2.159 . . . . 0.0 108.908 -171.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.56 -40.0 85.9 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 124.404 3.275 . . . . 0.0 110.513 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -59.55 -47.68 84.62 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.568 2.895 . . . . 0.0 110.809 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.28 -44.44 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 119.028 -2.295 . . . . 0.0 109.837 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -60.66 -43.73 97.3 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.837 -2.414 . . . . 0.0 110.29 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.19 -48.44 80.32 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.809 -2.432 . . . . 0.0 109.443 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -60.16 -39.68 87.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.524 -1.985 . . . . 0.0 111.586 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.488 1.435 0 O-C-N 119.249 -2.157 . . . . 0.0 110.734 -172.272 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 m -58.68 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.364 1.238 0 O-C-N 118.715 -2.49 . . . . 0.0 110.145 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -65.69 -61.35 2.13 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 118.164 -2.835 . . . . 0.0 110.388 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.92 -38.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 119.704 -1.873 . . . . 0.0 108.025 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.87 92.81 Favored Glycine 0 C--N 1.362 2.027 0 CA-C-N 123.602 2.91 . . . . 0.0 110.556 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 124.039 3.919 . . . . 0.0 111.062 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -56.33 -42.95 78.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 118.332 -2.73 . . . . 0.0 109.854 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.87 -39.87 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 119.007 -2.308 . . . . 0.0 110.087 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -57.06 -49.08 76.96 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.365 2.802 . . . . 0.0 108.466 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -65.63 -35.91 82.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 119.352 -2.093 . . . . 0.0 112.266 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.77 -48.88 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 119.025 -2.297 . . . . 0.0 108.251 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.71 -48.27 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 118.846 -2.409 . . . . 0.0 109.171 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -54.23 -50.61 66.76 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.71 -1.869 . . . . 0.0 109.008 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -59.88 -50.15 74.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 119.458 -2.026 . . . . 0.0 110.501 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.4 -37.06 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 120.01 -1.681 . . . . 0.0 109.618 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -79.09 -31.76 44.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 123.126 2.694 . . . . 0.0 112.368 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.01 -40.78 67.32 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 123.818 3.008 . . . . 0.0 107.95 171.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -71.65 -61.64 1.7 Allowed 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.66 -1.9 . . . . 0.0 106.667 168.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.423 0 O-C-N 118.933 -2.354 . . . . 0.0 110.401 -170.448 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.6 m -58.05 -47.74 82.21 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 119.506 -1.996 . . . . 0.0 110.015 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -58.13 -42.77 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 119.236 -2.165 . . . . 0.0 110.417 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.95 -46.13 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 118.904 -2.372 . . . . 0.0 107.55 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.16 -35.55 84.79 Favored Glycine 0 C--N 1.361 1.959 0 O-C-N 118.973 -2.329 . . . . 0.0 111.447 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.66 -47.87 76.86 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 122.611 3.206 . . . . 0.0 109.734 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.8 -46.34 87.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 118.956 -2.34 . . . . 0.0 110.085 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.27 -52.16 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 119.717 -1.864 . . . . 0.0 109.743 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -57.87 -42.54 84.75 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.274 -2.141 . . . . 0.0 109.895 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -64.4 -44.7 90.46 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 118.631 -2.543 . . . . 0.0 109.451 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.7 -54.21 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 119.131 -2.231 . . . . 0.0 108.749 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.92 -65.44 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.402 -1.436 . . . . 0.0 108.631 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.31 -43.25 78.76 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.829 -1.795 . . . . 0.0 110.971 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.98 -43.22 62.47 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 118.52 -2.612 . . . . 0.0 109.511 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 24' ' ' THR . 94.3 t -59.13 -34.41 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 118.218 -2.801 . . . . 0.0 110.782 169.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -65.56 -38.5 89.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 118.13 -2.856 . . . . 0.0 108.475 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.442 93.8 mttt -64.36 -63.77 1.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 125.459 3.754 . . . . 0.0 119.816 166.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -78.14 93.87 4.62 Favored 'General case' 0 N--CA 1.512 2.663 1 N-CA-C 85.379 -9.489 . . . . 0.0 85.379 165.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 24.3 m . . . . . 0 C--N 1.401 2.827 2 N-CA-C 125.254 5.279 . . . . 0.0 125.254 -156.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -58.53 -67.84 0.32 Allowed 'General case' 0 C--N 1.365 1.28 0 O-C-N 119.291 -2.131 . . . . 0.0 111.047 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -67.71 -61.1 2.04 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 118.793 -2.442 . . . . 0.0 110.534 -169.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.4 mt -71.95 -37.61 61.63 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 O-C-N 119.569 -1.957 . . . . 0.0 107.159 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.47 -36.6 91.62 Favored Glycine 0 C--N 1.363 2.041 0 CA-C-N 124.586 3.357 . . . . 0.0 111.425 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.51 -40.72 95.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 124.097 3.948 . . . . 0.0 109.697 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.85 -34.9 73.72 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 118.012 -2.93 . . . . 0.0 111.396 170.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.46 -51.0 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 117.819 -3.051 . . . . 0.0 107.908 170.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -54.91 -55.55 29.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 109.356 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -82.9 -61.57 1.83 Allowed 'General case' 0 N--CA 1.485 1.325 0 O-C-N 118.716 -2.49 . . . . 0.0 110.336 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -73.91 -53.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 O-C-N 119.814 -1.804 . . . . 0.0 107.866 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.44 -42.16 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 123.439 2.836 . . . . 0.0 109.556 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.99 -42.08 79.62 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 123.703 2.956 . . . . 0.0 109.569 172.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -61.16 -42.82 99.24 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 124.057 3.117 . . . . 0.0 111.766 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.05 -35.62 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 119.069 -2.269 . . . . 0.0 109.213 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -78.66 -29.61 45.83 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 122.39 2.359 . . . . 0.0 112.707 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -53.92 -37.57 63.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 117.351 -3.343 . . . . 0.0 107.883 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 119.645 -1.91 . . . . 0.0 105.997 168.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.485 1.301 0 O-C-N 119.411 -2.055 . . . . 0.0 110.119 -172.192 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 119.013 -0.518 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.46 95.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 118.482 -2.636 . . . . 0.0 110.752 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.67 -35.33 80.46 Favored 'General case' 0 C--N 1.369 1.414 0 O-C-N 118.941 -2.349 . . . . 0.0 110.411 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.7 -37.61 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 118.821 -2.424 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.27 -46.88 76.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 119.226 -2.171 . . . . 0.0 108.501 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.73 -47.28 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 119.035 -2.29 . . . . 0.0 108.709 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -58.2 -50.22 74.3 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 119.414 -2.054 . . . . 0.0 110.138 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.3 m -58.75 -47.4 84.78 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 119.569 -1.957 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.98 -41.03 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 118.938 -2.351 . . . . 0.0 107.35 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.74 -37.24 89.52 Favored Glycine 0 C--N 1.361 1.931 0 CA-C-N 123.264 2.757 . . . . 0.0 111.16 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.9 -45.6 91.74 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 122.675 3.237 . . . . 0.0 110.018 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.36 -40.76 98.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 118.588 -2.57 . . . . 0.0 110.726 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -53.82 -55.89 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 119.091 -2.256 . . . . 0.0 108.808 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -58.4 -56.59 20.18 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 119.957 -1.715 . . . . 0.0 109.504 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -81.92 -63.6 1.35 Allowed 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.945 -2.347 . . . . 0.0 109.285 -171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -70.58 -56.95 9.15 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 O-C-N 119.772 -1.83 . . . . 0.0 107.856 -171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -68.89 -43.26 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 CA-C-N 122.299 2.318 . . . . 0.0 109.453 -170.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.44 -42.63 92.35 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 123.328 2.786 . . . . 0.0 109.248 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -61.5 -42.48 98.87 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 124.181 3.173 . . . . 0.0 111.447 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.89 -38.07 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 119.304 -2.123 . . . . 0.0 109.285 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -78.04 -27.28 48.74 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 122.868 2.576 . . . . 0.0 113.994 171.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -53.36 -38.97 63.79 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 124.843 3.474 . . . . 0.0 107.737 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -72.82 -59.1 2.87 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 168.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -84.25 59.29 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.022 -2.299 . . . . 0.0 110.041 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -78.84 -67.14 0.78 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 118.992 -2.317 . . . . 0.0 106.222 170.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 C--N 1.373 1.604 0 O-C-N 119.86 -1.775 . . . . 0.0 111.339 172.078 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.36 48.74 0.14 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 118.51 -2.619 . . . . 0.0 111.937 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' HA ' HG22 ' A' ' 5' ' ' ILE 0.497 11.0 pt20 -75.32 -56.04 5.11 Favored 'General case' 0 N--CA 1.514 2.765 3 CA-C-O 87.789 -15.386 . . . . 0.0 125.176 -177.467 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.74 100.82 0.31 Allowed 'General case' 0 N--CA 1.514 2.753 3 O-C-N 76.497 -28.877 . . . . 0.0 88.708 169.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 3' ' ' GLN . 6.4 pt -69.97 -171.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.564 0 CA-C-N 110.586 -3.006 . . . . 0.0 117.358 -160.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -10.67 -42.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.581 0 C-N-CA 124.019 0.928 . . . . 0.0 111.155 168.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.98 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.374 1.638 0 C-N-CA 126.671 1.988 . . . . 0.0 110.124 168.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -80.12 -20.01 45.98 Favored 'General case' 0 C--N 1.374 1.672 0 O-C-N 117.72 -3.113 . . . . 0.0 109.1 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.78 -44.2 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 123.29 2.768 . . . . 0.0 107.315 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -41.03 98.46 Favored Glycine 0 C--N 1.362 1.989 0 O-C-N 118.355 -2.715 . . . . 0.0 110.873 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -60.15 -43.28 95.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 122.662 3.231 . . . . 0.0 110.87 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.56 -46.72 88.06 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 119.254 -2.154 . . . . 0.0 109.328 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.54 -48.75 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 118.858 -2.401 . . . . 0.0 109.821 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.58 -54.32 44.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 118.88 -2.387 . . . . 0.0 109.901 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -58.82 -38.93 79.74 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 119.539 -1.975 . . . . 0.0 111.371 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -71.36 -43.59 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 119.404 -2.06 . . . . 0.0 108.494 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.21 -52.15 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 123.662 2.937 . . . . 0.0 108.569 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.21 -48.15 71.34 Favored 'General case' 0 C--N 1.366 1.294 0 O-C-N 120.021 -1.674 . . . . 0.0 110.081 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.5 m -60.8 -48.15 83.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.015 -2.303 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.07 -38.67 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 119.816 -1.802 . . . . 0.0 109.882 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.67 -32.64 28.04 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 123.635 2.925 . . . . 0.0 112.359 172.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -53.67 -38.56 64.29 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.478 2.853 . . . . 0.0 108.127 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.56 -61.41 1.81 Allowed 'General case' 0 C--N 1.369 1.45 0 O-C-N 119.395 -2.066 . . . . 0.0 106.775 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -82.24 55.37 2.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 118.707 -2.496 . . . . 0.0 110.734 -170.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -78.49 145.77 34.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 118.743 -2.473 . . . . 0.0 107.978 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 C--N 1.368 1.411 0 O-C-N 119.848 -1.782 . . . . 0.0 110.614 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.2 96.36 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 117.338 -3.351 . . . . 0.0 112.649 -169.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.26 -89.82 0.02 OUTLIER 'General case' 0 C--N 1.369 1.453 0 O-C-N 118.96 -2.338 . . . . 0.0 110.939 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.39 -38.57 81.44 Favored 'General case' 0 C--N 1.371 1.51 0 O-C-N 118.459 -2.65 . . . . 0.0 111.898 -169.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -73.25 -54.17 16.32 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 CA-C-N 121.699 2.045 . . . . 0.0 108.805 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.5 mt -71.88 -34.63 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 124.36 3.255 . . . . 0.0 107.387 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -58.66 -66.13 0.54 Allowed 'General case' 0 C--N 1.368 1.399 0 O-C-N 117.768 -3.082 . . . . 0.0 109.651 169.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 m -70.96 -65.93 0.68 Allowed 'General case' 0 C--N 1.366 1.314 0 O-C-N 118.535 -2.603 . . . . 0.0 109.415 -169.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.78 -36.36 58.43 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 119.822 -1.799 . . . . 0.0 107.253 -172.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.89 -37.9 93.74 Favored Glycine 0 C--N 1.363 2.062 0 CA-C-N 123.64 2.927 . . . . 0.0 109.943 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.54 -39.57 94.04 Favored 'General case' 0 N--CA 1.491 1.598 1 CA-C-N 124.667 4.234 . . . . 0.0 110.625 170.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.89 -39.28 80.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 118.089 -2.882 . . . . 0.0 110.91 171.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.1 t -56.75 -53.05 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 118.914 -2.366 . . . . 0.0 108.765 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -56.2 -60.38 3.58 Favored 'General case' 0 C--N 1.365 1.271 0 O-C-N 120.404 -1.435 . . . . 0.0 108.498 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -80.13 -68.42 0.68 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.274 -2.142 . . . . 0.0 109.396 -171.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.69 -55.54 16.6 Favored 'Isoleucine or valine' 0 C--N 1.367 1.333 0 O-C-N 119.763 -1.836 . . . . 0.0 108.397 -169.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.65 -41.06 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 O-C-N 119.305 -2.122 . . . . 0.0 109.158 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -62.74 -39.21 93.41 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 124.556 3.344 . . . . 0.0 110.219 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.2 m -59.92 -47.05 87.37 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.696 2.953 . . . . 0.0 110.61 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -42.94 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 119.368 -2.083 . . . . 0.0 109.452 174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.93 -44.1 97.0 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 118.893 -2.38 . . . . 0.0 110.498 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -58.25 -44.81 88.5 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 118.914 -2.366 . . . . 0.0 109.701 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -65.88 -42.38 90.38 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 119.301 -2.125 . . . . 0.0 111.448 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.8 m -79.97 -46.28 16.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.132 -2.23 . . . . 0.0 111.144 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.0 139.55 32.46 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 119.763 -1.835 . . . . 0.0 109.093 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.374 1.655 0 O-C-N 120.112 -1.618 . . . . 0.0 108.783 -172.017 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.1 mtm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.48 67.67 0.53 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 119.651 -1.906 . . . . 0.0 108.827 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.45 -35.17 80.13 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 118.899 -2.376 . . . . 0.0 111.222 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.22 -36.28 79.27 Favored 'General case' 0 C--N 1.368 1.402 0 O-C-N 118.856 -2.402 . . . . 0.0 110.703 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.5 -49.79 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 121.559 1.981 . . . . 0.0 108.595 173.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -57.42 -50.97 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 119.787 -1.821 . . . . 0.0 108.269 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 m -58.74 -70.64 0.14 Allowed 'General case' 0 C--N 1.365 1.258 0 O-C-N 118.945 -2.347 . . . . 0.0 110.676 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -61.96 -63.22 1.32 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 118.757 -2.464 . . . . 0.0 111.011 -169.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 mt -76.69 -37.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.695 -1.878 . . . . 0.0 107.638 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.16 99.55 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-N 123.906 3.048 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -65.69 -39.43 91.28 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 123.205 3.502 . . . . 0.0 111.112 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.66 -41.61 90.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 118.197 -2.814 . . . . 0.0 110.371 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 t -58.04 -43.65 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 118.915 -2.366 . . . . 0.0 109.277 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -57.23 -61.16 2.67 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 118.267 -2.771 . . . . 0.0 108.567 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.03 -44.52 92.3 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 118.518 -2.614 . . . . 0.0 111.603 -169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -79.54 -68.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.14 0 O-C-N 119.705 -1.872 . . . . 0.0 107.502 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.9 -42.17 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 O-C-N 119.104 -2.247 . . . . 0.0 110.945 -169.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.29 -42.48 88.31 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 123.921 3.055 . . . . 0.0 108.26 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -58.8 -54.88 42.07 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 123.323 2.783 . . . . 0.0 109.469 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.93 -47.01 76.56 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 O-C-N 120.08 -1.638 . . . . 0.0 110.253 -174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.32 -40.3 27.01 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 123.05 2.659 . . . . 0.0 111.697 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.25 -36.74 73.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 117.324 -3.36 . . . . 0.0 109.285 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.72 -53.76 9.62 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 122.237 2.29 . . . . 0.0 108.992 169.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m -87.08 66.59 9.42 Favored 'General case' 0 N--CA 1.506 2.334 1 CA-C-O 91.437 -13.649 . . . . 0.0 112.774 175.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -79.19 -57.56 3.66 Favored 'General case' 0 N--CA 1.483 1.205 2 O-C-N 74.235 -30.291 . . . . 0.0 108.343 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.368 1.393 0 O-C-N 120.14 -1.6 . . . . 0.0 111.19 177.006 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.12 81.78 0.7 Allowed 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.387 -2.071 . . . . 0.0 105.853 169.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.14 -33.57 76.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 119.499 -2.001 . . . . 0.0 112.41 -169.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.84 -32.93 70.12 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-N 123.911 3.051 . . . . 0.0 111.421 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.65 -46.39 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 117.928 -2.983 . . . . 0.0 107.016 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.04 -69.68 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 119.539 -1.976 . . . . 0.0 107.768 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -59.17 -74.81 0.06 Allowed 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.328 -2.108 . . . . 0.0 111.938 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -66.44 -56.02 12.92 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 119.22 -2.175 . . . . 0.0 109.98 -169.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.7 mt -71.7 -40.43 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 119.388 -2.07 . . . . 0.0 108.191 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.24 -40.75 96.24 Favored Glycine 0 C--N 1.361 1.935 0 CA-C-N 123.856 3.025 . . . . 0.0 111.503 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.48 -42.5 95.86 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 123.499 3.649 . . . . 0.0 110.807 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.71 -42.48 79.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 118.698 -2.501 . . . . 0.0 109.581 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.24 -42.84 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 119.027 -2.296 . . . . 0.0 109.851 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -57.89 -47.55 82.45 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 123.407 2.821 . . . . 0.0 109.229 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -66.77 -35.16 79.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 119.211 -2.181 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 71.9 mt -65.16 -44.85 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 118.683 -2.511 . . . . 0.0 108.81 172.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.43 -54.04 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.055 -2.278 . . . . 0.0 108.084 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.92 -55.25 15.17 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 121.228 1.831 . . . . 0.0 110.158 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -57.31 -58.75 6.89 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 119.815 -1.803 . . . . 0.0 110.1 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.42 -53.22 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 O-C-N 120.112 -1.617 . . . . 0.0 110.057 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.59 -44.73 77.45 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 118.803 -2.436 . . . . 0.0 110.7 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -58.61 -46.8 86.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 118.647 -2.533 . . . . 0.0 109.686 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -57.71 -34.97 70.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.614 -1.929 . . . . 0.0 111.108 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -78.68 -31.69 46.78 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 119.216 -2.177 . . . . 0.0 109.539 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -79.04 -39.0 35.1 Favored 'General case' 0 C--N 1.367 1.337 0 O-C-N 118.777 -2.452 . . . . 0.0 110.191 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.49 1.528 0 CA-C-N 122.559 2.436 . . . . 0.0 109.86 -177.725 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.32 75.57 0.73 Allowed 'General case' 0 C--N 1.371 1.504 0 O-C-N 118.685 -2.509 . . . . 0.0 108.355 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -65.21 -29.12 69.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 119.055 -2.278 . . . . 0.0 111.134 -174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -67.91 -41.87 82.01 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 118.744 -2.472 . . . . 0.0 109.401 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.8 -41.99 77.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 119.727 -1.858 . . . . 0.0 108.438 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -47.24 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 118.499 -2.626 . . . . 0.0 108.754 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.4 p -58.25 -43.8 88.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.011 -2.306 . . . . 0.0 110.996 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 m -59.4 -41.5 89.57 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 119.352 -2.092 . . . . 0.0 109.754 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.85 -40.22 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.855 -2.403 . . . . 0.0 107.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.34 -38.03 89.25 Favored Glycine 0 C--N 1.362 1.99 0 CA-C-N 123.681 2.946 . . . . 0.0 111.144 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.78 -45.57 92.06 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.118 -2.989 . . . . 0.0 109.963 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.96 -37.84 88.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 118.368 -2.707 . . . . 0.0 111.075 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -54.47 -54.68 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 119.024 -2.297 . . . . 0.0 108.369 171.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.01 -57.18 13.66 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 120.112 -1.618 . . . . 0.0 109.58 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -81.01 -67.07 0.81 Allowed 'General case' 0 N--CA 1.482 1.173 0 O-C-N 118.908 -2.37 . . . . 0.0 109.416 -171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.3 mt -69.89 -53.67 22.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 119.529 -1.982 . . . . 0.0 108.307 -170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -69.6 -43.36 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 119.246 -2.159 . . . . 0.0 108.908 -171.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -59.56 -40.0 85.9 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 124.404 3.275 . . . . 0.0 110.513 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -59.55 -47.68 84.62 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 123.568 2.895 . . . . 0.0 110.809 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.28 -44.44 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 119.028 -2.295 . . . . 0.0 109.837 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -60.66 -43.73 97.3 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.837 -2.414 . . . . 0.0 110.29 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.19 -48.44 80.32 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 118.809 -2.432 . . . . 0.0 109.443 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -60.16 -39.68 87.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.524 -1.985 . . . . 0.0 111.586 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 m -79.57 -41.41 27.26 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 119.249 -2.157 . . . . 0.0 110.734 -172.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.61 76.15 6.24 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.192 -2.193 . . . . 0.0 107.759 -172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.367 1.361 0 C-N-CA 124.992 1.317 . . . . 0.0 108.249 177.022 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 mtp . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.82 78.95 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.653 -1.904 . . . . 0.0 110.273 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -65.61 -43.87 88.29 Favored 'General case' 0 C--N 1.369 1.442 0 O-C-N 118.846 -2.409 . . . . 0.0 109.825 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -68.83 -35.37 76.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 119.279 -2.138 . . . . 0.0 111.129 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 71.9 mt -68.77 -55.42 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 119.787 -1.821 . . . . 0.0 107.874 175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt -57.45 -41.94 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 119.19 -2.194 . . . . 0.0 109.02 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 m -58.68 -77.61 0.03 OUTLIER 'General case' 0 C--N 1.364 1.238 0 O-C-N 118.715 -2.49 . . . . 0.0 110.145 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -65.69 -61.35 2.13 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 118.164 -2.835 . . . . 0.0 110.388 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.92 -38.35 64.32 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 119.704 -1.873 . . . . 0.0 108.025 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.87 92.81 Favored Glycine 0 C--N 1.362 2.027 0 CA-C-N 123.602 2.91 . . . . 0.0 110.556 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 124.039 3.919 . . . . 0.0 111.062 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -56.33 -42.95 78.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 118.332 -2.73 . . . . 0.0 109.854 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.87 -39.87 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 119.007 -2.308 . . . . 0.0 110.087 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -57.06 -49.08 76.96 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.365 2.802 . . . . 0.0 108.466 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -65.63 -35.91 82.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 119.352 -2.093 . . . . 0.0 112.266 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.77 -48.88 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 119.025 -2.297 . . . . 0.0 108.251 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.71 -48.27 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 118.846 -2.409 . . . . 0.0 109.171 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -54.23 -50.61 66.76 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 119.71 -1.869 . . . . 0.0 109.008 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -59.88 -50.15 74.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 119.458 -2.026 . . . . 0.0 110.501 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.4 -37.06 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 120.01 -1.681 . . . . 0.0 109.618 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -79.09 -31.76 44.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 123.126 2.694 . . . . 0.0 112.368 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.01 -40.78 67.32 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 123.818 3.008 . . . . 0.0 107.95 171.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -71.65 -61.64 1.7 Allowed 'General case' 0 C--N 1.37 1.485 0 O-C-N 119.66 -1.9 . . . . 0.0 106.667 168.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -81.69 57.31 3.33 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 118.933 -2.354 . . . . 0.0 110.401 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.2 131.89 37.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 118.452 -2.655 . . . . 0.0 107.184 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 N--CA 1.488 1.435 0 O-C-N 120.073 -1.642 . . . . 0.0 110.409 -172.729 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.84 153.31 40.5 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 118.964 -2.335 . . . . 0.0 109.683 170.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.09 -32.38 74.06 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.576 -2.577 . . . . 0.0 110.645 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.43 -33.68 74.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 118.876 -2.39 . . . . 0.0 110.98 171.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 94.7 mt -71.59 -48.41 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 118.711 -2.493 . . . . 0.0 108.069 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.23 -46.7 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.255 -2.153 . . . . 0.0 108.442 175.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.6 m -58.05 -47.74 82.21 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 119.506 -1.996 . . . . 0.0 110.015 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -58.13 -42.77 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 119.236 -2.165 . . . . 0.0 110.417 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.95 -46.13 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 118.904 -2.372 . . . . 0.0 107.55 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.16 -35.55 84.79 Favored Glycine 0 C--N 1.361 1.959 0 O-C-N 118.973 -2.329 . . . . 0.0 111.447 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.66 -47.87 76.86 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 122.611 3.206 . . . . 0.0 109.734 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.8 -46.34 87.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 118.956 -2.34 . . . . 0.0 110.085 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.27 -52.16 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 119.717 -1.864 . . . . 0.0 109.743 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -57.87 -42.54 84.75 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.274 -2.141 . . . . 0.0 109.895 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -64.4 -44.7 90.46 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 118.631 -2.543 . . . . 0.0 109.451 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.7 -54.21 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 119.131 -2.231 . . . . 0.0 108.749 175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.92 -65.44 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.402 -1.436 . . . . 0.0 108.631 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.31 -43.25 78.76 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.829 -1.795 . . . . 0.0 110.971 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.98 -43.22 62.47 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 118.52 -2.612 . . . . 0.0 109.511 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 24' ' ' THR . 94.3 t -59.13 -34.41 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 118.218 -2.801 . . . . 0.0 110.782 169.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -65.56 -38.5 89.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 118.13 -2.856 . . . . 0.0 108.475 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.442 93.8 mttt -64.36 -63.77 1.05 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 125.459 3.754 . . . . 0.0 119.816 166.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -78.14 93.87 4.62 Favored 'General case' 0 N--CA 1.512 2.663 1 N-CA-C 85.379 -9.489 . . . . 0.0 85.379 165.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 24.3 m -77.45 146.8 36.29 Favored 'General case' 0 C--N 1.401 2.827 2 N-CA-C 125.254 5.279 . . . . 0.0 125.254 -156.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -79.69 75.49 6.35 Favored 'General case' 0 N--CA 1.487 1.42 1 CA-C-N 108.337 -4.029 . . . . 0.0 107.792 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 N--CA 1.487 1.422 0 O-C-N 120.209 -1.557 . . . . 0.0 109.342 -178.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.493 1.677 1 CA-C-O 90.658 -14.02 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.87 117.03 6.97 Favored 'General case' 0 N--CA 1.481 1.091 2 O-C-N 76.03 -29.169 . . . . 0.0 107.994 176.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -65.35 -26.78 68.18 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 119.056 -2.277 . . . . 0.0 110.531 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.15 -32.71 73.17 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 118.843 -2.411 . . . . 0.0 110.626 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.6 mt -69.61 -48.58 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 122.415 2.371 . . . . 0.0 108.041 171.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.05 -55.5 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 119.883 -1.761 . . . . 0.0 108.226 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -58.53 -67.84 0.32 Allowed 'General case' 0 C--N 1.365 1.28 0 O-C-N 119.291 -2.131 . . . . 0.0 111.047 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -67.71 -61.1 2.04 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 118.793 -2.442 . . . . 0.0 110.534 -169.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.4 mt -71.95 -37.61 61.63 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 O-C-N 119.569 -1.957 . . . . 0.0 107.159 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.47 -36.6 91.62 Favored Glycine 0 C--N 1.363 2.041 0 CA-C-N 124.586 3.357 . . . . 0.0 111.425 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.51 -40.72 95.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 124.097 3.948 . . . . 0.0 109.697 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.85 -34.9 73.72 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 118.012 -2.93 . . . . 0.0 111.396 170.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.46 -51.0 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 117.819 -3.051 . . . . 0.0 107.908 170.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -54.91 -55.55 29.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 109.356 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -82.9 -61.57 1.83 Allowed 'General case' 0 N--CA 1.485 1.325 0 O-C-N 118.716 -2.49 . . . . 0.0 110.336 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.2 mt -73.91 -53.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 O-C-N 119.814 -1.804 . . . . 0.0 107.866 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.44 -42.16 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 123.439 2.836 . . . . 0.0 109.556 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.99 -42.08 79.62 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 123.703 2.956 . . . . 0.0 109.569 172.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -61.16 -42.82 99.24 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 124.057 3.117 . . . . 0.0 111.766 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.05 -35.62 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 119.069 -2.269 . . . . 0.0 109.213 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -78.66 -29.61 45.83 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 122.39 2.359 . . . . 0.0 112.707 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -53.92 -37.57 63.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 117.351 -3.343 . . . . 0.0 107.883 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.08 -59.92 2.48 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 119.645 -1.91 . . . . 0.0 105.997 168.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 m -86.37 62.42 7.41 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 119.411 -2.055 . . . . 0.0 110.119 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -77.19 149.63 35.54 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 117.634 -3.166 . . . . 0.0 109.485 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mptt . . . . . 0 C--N 1.369 1.443 0 O-C-N 120.142 -1.599 . . . . 0.0 109.206 -169.478 . . . . . . . . 0 0 . 1 stop_ save_