data_2lld_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 2lld _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 ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -119.1 161.31 20.51 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.598 0.635 . . . . 25.0 111.258 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 t -106.98 -0.9 22.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.556 1.143 . . . . 25.0 108.239 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.25 154.4 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 44.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.505 1.621 . . . . 25.0 106.776 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -71.41 -29.5 64.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.739 -2.028 . . . . 25.0 108.857 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -83.74 11.4 7.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.25 -120.07 6.49 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 104.308 -3.517 . . . . 25.0 104.308 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.0 159.59 0.25 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 123.199 1.476 . . . . 25.0 114.363 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.05 15.07 27.11 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 112.752 -2.022 . . . . 25.0 110.498 -170.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.47 -36.8 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.915 0.864 . . . . 25.0 111.672 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.11 112.87 10.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -59.09 -7.95 1.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -13.77 35.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.226 0.536 . . . . 25.0 111.736 171.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.29 64.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.455 0.702 . . . . 25.0 112.008 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.52 91.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.737 0.779 . . . . 25.0 110.714 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.35 99.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 25.0 109.357 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.09 89.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.38 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -61.83 -36.03 79.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.976 0.417 . . . . 25.0 110.026 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.91 -42.03 63.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.623 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.06 -35.4 73.29 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.791 0.329 . . . . 25.0 110.616 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.61 -8.31 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -107.32 7.63 29.32 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.16 -0.337 . . . . 25.0 110.341 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.36 7.35 86.67 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.028 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.01 161.47 26.59 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.54 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.82 -165.01 25.18 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 107.27 -2.332 . . . . 25.0 107.27 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.05 173.47 34.0 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 118.706 1.253 . . . . 25.0 111.645 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -137.03 161.05 37.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.6 m -102.28 135.11 44.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 25.0 111.553 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -81.37 163.35 22.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.03 1.4 6.15 Favored Glycine 0 C--O 1.219 -0.827 0 N-CA-C 115.843 1.097 . . . . 25.0 115.843 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -111.86 22.57 14.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 117.523 0.662 . . . . 25.0 110.98 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.45 25.69 15.31 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.838 1.255 . . . . 25.0 112.266 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.1 141.33 14.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.99 128.58 53.35 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.5 104.39 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -71.7 151.01 43.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.403 -1.271 . . . . 25.0 110.135 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.5 mtt85 -86.04 175.03 8.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 174.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.938 -0.554 . . . . 25.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -117.88 163.01 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.251 0.478 . . . . 25.0 112.09 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 t -109.01 3.08 21.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.619 1.168 . . . . 25.0 108.392 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -64.06 155.43 31.32 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.97 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -69.56 -31.99 70.5 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 112.56 -2.109 . . . . 25.0 109.248 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -83.81 11.41 7.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 115.283 1.586 . . . . 25.0 115.283 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.25 -121.09 6.71 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 103.292 -3.923 . . . . 25.0 103.292 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.04 158.57 0.33 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 123.162 1.458 . . . . 25.0 114.672 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 14.87 25.71 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 112.62 -2.082 . . . . 25.0 109.783 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -56.13 -35.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.927 0.87 . . . . 25.0 110.746 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -72.42 109.94 6.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.421 -2.066 . . . . 25.0 105.421 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.76 -7.05 2.04 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.941 1.46 . . . . 25.0 114.941 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.83 -13.7 36.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.17 0.51 . . . . 25.0 111.889 171.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.08 67.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.417 0.687 . . . . 25.0 111.648 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -45.12 93.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.768 0.794 . . . . 25.0 111.061 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.55 99.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.566 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.93 88.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.411 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.86 -36.31 80.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 25.0 110.4 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.95 -41.49 64.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.575 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -58.63 -36.32 73.89 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.857 0.36 . . . . 25.0 110.544 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.68 -14.22 62.22 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -94.97 2.96 55.43 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.491 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.56 77.66 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 121.099 -0.572 . . . . 25.0 112.515 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -81.67 164.32 21.89 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -17.53 64.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.179 0.592 . . . . 25.0 112.292 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.34 -164.97 26.48 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.911 -2.075 . . . . 25.0 107.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.56 170.46 32.34 Favored Glycine 0 CA--C 1.512 -0.109 0 CA-C-N 118.452 1.126 . . . . 25.0 111.383 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -137.01 160.91 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -102.72 136.78 41.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.798 0.333 . . . . 25.0 111.247 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.65 163.23 18.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.41 3.53 4.53 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 115.99 1.156 . . . . 25.0 115.99 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.23 18.86 20.61 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 117.338 0.569 . . . . 25.0 110.745 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.8 27.61 16.88 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.508 1.123 . . . . 25.0 111.445 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.98 142.12 14.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.558 -1.645 . . . . 25.0 106.558 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -103.7 128.9 50.99 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -121.86 104.11 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.14 150.44 45.42 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.725 -1.125 . . . . 25.0 109.948 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 175.02 7.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.729 -0.653 . . . . 25.0 109.437 176.619 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.917 -0.563 . . . . 25.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -115.39 159.28 21.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.225 0.536 . . . . 25.0 112.263 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 t -108.95 0.52 20.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.653 1.181 . . . . 25.0 108.521 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.46 155.19 29.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 45.19 1.0 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 123.505 1.621 . . . . 25.0 107.365 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -75.23 -33.62 61.36 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 112.904 -1.953 . . . . 25.0 109.302 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -86.86 11.56 13.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.589 -1.187 . . . . 25.0 114.203 -175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.37 -121.26 6.52 Favored Glycine 0 N--CA 1.441 -1.01 1 N-CA-C 101.63 -4.588 . . . . 25.0 101.63 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.11 158.19 0.38 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 123.612 1.672 . . . . 25.0 114.532 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.39 3.23 24.24 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 111.907 -2.406 . . . . 25.0 109.105 -168.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.13 -38.1 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.167 0.984 . . . . 25.0 109.107 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.38 99.44 5.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 167.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -62.22 -4.43 1.75 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.507 1.669 . . . . 25.0 115.507 -173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -16.09 55.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.268 0.556 . . . . 25.0 111.879 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -37.78 72.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.022 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -44.24 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.757 0.789 . . . . 25.0 111.043 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.1 99.05 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.017 -0.992 . . . . 25.0 109.792 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.79 88.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.248 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -62.39 -30.41 71.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.982 0.42 . . . . 25.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.0 m -80.65 -40.07 26.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.937 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.91 -34.62 71.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.714 0.292 . . . . 25.0 110.331 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.56 -9.04 23.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -105.16 6.39 33.06 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.132 -0.355 . . . . 25.0 110.708 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.96 8.82 85.26 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.997 -0.621 . . . . 25.0 112.758 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.33 161.97 26.82 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -17.19 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.164 0.585 . . . . 25.0 112.247 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.73 -165.03 26.61 Favored Glycine 0 CA--C 1.506 -0.488 0 N-CA-C 107.522 -2.231 . . . . 25.0 107.522 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.97 167.52 28.29 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 110.508 -1.037 . . . . 25.0 110.508 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -137.07 160.93 37.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.46 131.16 53.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.952 0.406 . . . . 25.0 111.192 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.53 163.57 26.18 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.25 -0.48 7.77 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 115.599 0.999 . . . . 25.0 115.599 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -108.21 20.06 19.14 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 117.391 0.596 . . . . 25.0 110.919 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.99 30.38 17.98 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.424 1.09 . . . . 25.0 111.205 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -96.17 140.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 106.517 -1.66 . . . . 25.0 106.517 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -99.98 126.93 46.23 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.26 107.51 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 -175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.89 149.47 47.8 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.592 -1.186 . . . . 25.0 109.93 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -87.54 175.05 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 118.655 -0.688 . . . . 25.0 109.408 175.087 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -115.92 162.54 17.19 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.325 0.511 . . . . 25.0 111.788 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -108.36 0.95 21.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.543 1.137 . . . . 25.0 108.484 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.24 154.04 36.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.76 45.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.639 1.685 . . . . 25.0 107.069 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.2 tp -70.37 -29.45 66.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.674 -2.057 . . . . 25.0 108.358 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -77.96 10.21 3.03 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 116.227 1.936 . . . . 25.0 116.227 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.77 -121.14 6.14 Favored Glycine 0 N--CA 1.439 -1.12 1 N-CA-C 102.996 -4.042 . . . . 25.0 102.996 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.99 157.94 0.37 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-O 123.131 1.443 . . . . 25.0 114.579 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 15.13 33.06 Favored Glycine 0 C--O 1.222 -0.65 0 CA-C-N 112.808 -1.996 . . . . 25.0 109.915 -168.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -49.79 -37.41 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.005 0.922 . . . . 25.0 113.156 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -76.1 119.14 19.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.433 -1.692 . . . . 25.0 106.433 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -59.06 -6.53 0.86 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -14.03 38.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.157 0.503 . . . . 25.0 111.712 171.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -33.8 66.01 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.402 0.681 . . . . 25.0 111.883 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -45.31 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.815 0.817 . . . . 25.0 110.892 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.4 99.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.98 -1.009 . . . . 25.0 109.394 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.304 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -61.74 -34.14 75.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.141 0.496 . . . . 25.0 110.696 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.2 m -75.91 -42.13 49.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.453 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 mt -58.74 -34.65 71.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.712 0.292 . . . . 25.0 110.603 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.73 -10.21 44.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -102.67 5.82 39.24 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.003 -0.436 . . . . 25.0 110.279 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.35 83.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.031 -0.604 . . . . 25.0 112.727 -176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.35 163.52 24.79 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -17.65 64.65 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.294 0.638 . . . . 25.0 112.527 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.75 -165.02 25.68 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 107.725 -2.15 . . . . 25.0 107.725 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.46 171.3 32.94 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 118.471 1.136 . . . . 25.0 111.532 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.83 161.1 36.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.79 138.17 40.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -85.33 162.96 18.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.52 3.19 4.97 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 116.129 1.212 . . . . 25.0 116.129 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -111.3 22.41 15.2 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 117.562 0.681 . . . . 25.0 110.686 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.96 26.96 16.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.696 1.198 . . . . 25.0 111.761 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.59 141.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.86 129.18 53.24 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.7 t -119.84 102.57 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.79 149.92 44.86 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.727 -1.124 . . . . 25.0 110.226 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -88.69 174.98 7.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.901 -2.259 . . . . 25.0 104.901 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p30 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 118.683 -0.675 . . . . 25.0 109.416 175.064 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -117.53 165.76 13.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 25.0 111.231 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -108.97 0.93 20.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.382 1.073 . . . . 25.0 108.189 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.46 152.85 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.689 -0.687 . . . . 25.0 112.476 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.41 45.07 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.532 1.634 . . . . 25.0 107.214 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -73.17 -29.53 62.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 112.71 -2.041 . . . . 25.0 108.892 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -82.54 11.03 6.15 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.46 -121.42 6.59 Favored Glycine 0 N--CA 1.44 -1.063 1 N-CA-C 102.92 -4.072 . . . . 25.0 102.92 -172.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 158.86 0.29 Allowed 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 123.263 1.506 . . . . 25.0 114.268 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 15.1 23.7 Favored Glycine 0 C--N 1.317 -0.511 0 CA-C-N 112.56 -2.109 . . . . 25.0 111.186 -170.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.56 -37.58 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.872 0.844 . . . . 25.0 111.109 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -74.33 115.69 14.13 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -59.95 -5.97 1.16 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -15.09 54.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.277 0.561 . . . . 25.0 111.702 171.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.47 -34.14 68.71 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.062 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.803 0.811 . . . . 25.0 110.312 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.29 99.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.798 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.49 90.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.3 -0.864 . . . . 25.0 111.2 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -63.0 -34.39 77.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 25.0 110.609 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.6 m -73.7 -40.88 63.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.525 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.74 -36.4 74.26 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.76 0.314 . . . . 25.0 110.549 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.21 -19.39 65.95 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -90.03 2.08 55.59 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.981 -0.449 . . . . 25.0 110.814 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.14 12.94 72.55 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.18 -0.533 . . . . 25.0 112.687 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.51 164.95 18.47 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.62 65.46 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.366 0.667 . . . . 25.0 112.465 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.65 -164.98 26.59 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 107.621 -2.192 . . . . 25.0 107.621 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.53 171.83 33.0 Favored Glycine 0 C--O 1.229 -0.159 0 CA-C-N 118.476 1.138 . . . . 25.0 111.375 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -137.08 160.95 37.44 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.04 136.27 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.824 0.345 . . . . 25.0 111.421 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.67 163.41 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.28 3.04 4.74 Favored Glycine 0 C--O 1.218 -0.905 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -109.51 19.39 19.33 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 117.378 0.589 . . . . 25.0 110.738 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.55 27.43 16.23 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.586 1.154 . . . . 25.0 111.874 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 mt -96.64 143.19 12.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.89 130.08 48.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.24 103.62 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.06 150.68 45.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.886 -1.052 . . . . 25.0 110.04 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -90.47 175.04 7.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.239 0.502 0 CA-C-O 118.607 -0.711 . . . . 25.0 110.213 176.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.928 -0.558 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -112.05 159.8 18.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 25.0 112.033 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 t -108.96 2.28 21.25 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.396 1.078 . . . . 25.0 109.246 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -63.63 153.64 35.35 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 45.58 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.631 1.681 . . . . 25.0 106.988 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.42 -31.82 48.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.563 -2.108 . . . . 25.0 109.137 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -87.34 12.48 11.89 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.599 1.333 . . . . 25.0 114.599 -175.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.43 -121.67 7.3 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 104.524 -3.43 . . . . 25.0 104.524 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.85 158.58 0.31 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.0 6.73 31.94 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-N 112.233 -2.258 . . . . 25.0 110.311 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.4 -41.73 63.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 122.117 0.96 . . . . 25.0 109.778 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.6 109.24 14.94 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.27 -4.18 1.67 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -14.93 53.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 111.912 172.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -37.0 74.08 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.859 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -44.33 96.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.762 0.791 . . . . 25.0 110.546 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.95 99.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.979 -1.009 . . . . 25.0 109.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.57 87.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.189 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -62.33 -32.42 73.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.986 0.422 . . . . 25.0 110.847 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -78.24 -40.53 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.758 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.77 -34.76 71.81 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.712 0.292 . . . . 25.0 110.419 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.3 mt -66.32 -10.13 39.86 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -102.99 5.23 38.16 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.007 -0.433 . . . . 25.0 110.465 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.9 9.57 82.44 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.774 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -79.25 162.89 25.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -16.92 64.43 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.142 0.577 . . . . 25.0 112.55 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.23 -164.93 26.81 Favored Glycine 0 CA--C 1.507 -0.428 0 N-CA-C 107.457 -2.257 . . . . 25.0 107.457 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 169.25 31.25 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 109.97 -1.252 . . . . 25.0 109.97 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -137.07 160.82 37.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.6 m -106.44 134.17 50.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.19 161.04 27.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.03 0.32 11.77 Favored Glycine 0 C--O 1.218 -0.874 0 N-CA-C 114.287 0.475 . . . . 25.0 114.287 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -104.67 17.97 23.13 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 123.373 0.669 . . . . 25.0 110.585 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.77 28.1 16.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.828 1.251 . . . . 25.0 111.987 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.27 140.99 16.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -101.45 127.2 48.23 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.89 104.32 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.72 150.53 47.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.801 -1.09 . . . . 25.0 110.267 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.34 174.94 7.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.636 -2.357 . . . . 25.0 104.636 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 118.945 -0.55 . . . . 25.0 109.567 176.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -118.19 160.27 21.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.34 0.518 . . . . 25.0 112.263 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.99 1.23 20.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.929 1.292 . . . . 25.0 108.484 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.08 154.72 26.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 45.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.509 1.624 . . . . 25.0 106.783 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.76 -32.67 67.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.469 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -87.33 12.38 12.12 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.814 1.413 . . . . 25.0 114.814 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.95 -121.06 6.79 Favored Glycine 0 N--CA 1.441 -0.978 1 N-CA-C 101.18 -4.768 . . . . 25.0 101.18 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 157.89 0.37 Allowed 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 123.526 1.631 . . . . 25.0 114.334 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.27 4.37 14.04 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 111.934 -2.393 . . . . 25.0 110.212 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.27 -36.85 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 122.351 1.072 . . . . 25.0 108.561 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -75.83 100.03 4.64 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.282 -2.488 . . . . 25.0 104.282 166.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -62.95 -3.35 1.58 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.103 1.52 . . . . 25.0 115.103 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -15.67 48.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.303 0.573 . . . . 25.0 111.653 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.58 67.78 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.555 -0.748 . . . . 25.0 112.067 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.81 92.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.882 0.849 . . . . 25.0 110.485 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.79 98.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.841 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.71 87.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.298 -0.865 . . . . 25.0 111.192 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -62.06 -33.53 74.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.068 0.461 . . . . 25.0 110.566 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -76.75 -41.09 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.637 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.67 -35.53 72.73 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.805 0.336 . . . . 25.0 110.48 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -67.03 -9.66 41.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -102.52 5.39 39.39 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.026 -0.421 . . . . 25.0 110.291 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.98 82.19 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.018 -0.61 . . . . 25.0 112.873 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.76 163.5 23.45 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -17.48 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -164.95 26.22 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 107.488 -2.245 . . . . 25.0 107.488 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.48 171.73 31.67 Favored Glycine 0 N--CA 1.457 0.058 0 CA-C-N 118.434 1.117 . . . . 25.0 111.309 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -137.06 161.06 37.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -104.49 136.61 43.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.07 164.52 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 173.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.88 -0.33 8.67 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -107.56 19.34 20.33 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.497 0.648 . . . . 25.0 110.846 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.48 29.66 18.5 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.209 1.004 . . . . 25.0 110.982 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.94 143.54 11.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.95 129.35 53.37 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.23 104.37 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.23 150.47 46.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.671 -1.15 . . . . 25.0 110.162 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -89.62 174.82 7.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 173.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 118.753 -0.641 . . . . 25.0 109.738 175.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -116.93 157.2 26.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.69 0.677 . . . . 25.0 112.017 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 t -108.92 7.2 25.91 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.384 1.074 . . . . 25.0 108.64 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.5 154.94 27.1 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.799 1.036 . . . . 25.0 113.799 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.48 45.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 171.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.59 -32.82 71.79 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 112.554 -2.112 . . . . 25.0 109.477 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.17 12.09 8.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.36 -120.07 6.39 Favored Glycine 0 N--CA 1.442 -0.902 1 N-CA-C 102.76 -4.136 . . . . 25.0 102.76 -169.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 159.04 0.28 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 123.459 1.599 . . . . 25.0 114.613 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.13 10.97 28.86 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 112.241 -2.254 . . . . 25.0 109.684 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.12 -36.66 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-O 122.307 1.051 . . . . 25.0 108.866 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -77.42 104.91 8.22 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.592 -2.373 . . . . 25.0 104.592 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -62.53 -1.14 0.72 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -15.25 52.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 25.0 111.623 172.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.99 69.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.534 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.96 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.591 0.71 . . . . 25.0 111.008 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.42 97.96 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.542 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.93 88.28 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.133 -0.94 . . . . 25.0 111.427 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -61.93 -35.02 77.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 120.978 0.418 . . . . 25.0 110.627 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -74.02 -42.11 60.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.145 -0.479 . . . . 25.0 110.497 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.8 -35.57 73.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.773 0.321 . . . . 25.0 110.735 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.63 -10.43 45.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -100.61 4.81 43.64 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.086 -0.384 . . . . 25.0 110.549 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.31 82.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.006 -0.616 . . . . 25.0 112.514 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -79.68 162.66 25.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -14.94 61.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.351 0.661 . . . . 25.0 112.627 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.03 25.55 Favored Glycine 0 C--O 1.222 -0.653 0 N-CA-C 107.882 -2.087 . . . . 25.0 107.882 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.61 168.74 30.46 Favored Glycine 0 CA--C 1.51 -0.242 0 CA-C-N 118.214 1.007 . . . . 25.0 110.624 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -136.92 160.83 37.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.2 m -106.76 134.32 50.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.898 0.38 . . . . 25.0 111.791 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -82.2 161.98 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.73 4.03 4.52 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.861 1.104 . . . . 25.0 115.861 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -112.34 23.16 13.94 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 117.521 0.66 . . . . 25.0 110.892 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.53 27.06 16.06 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.718 1.207 . . . . 25.0 111.952 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -95.99 139.64 18.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -105.03 127.83 53.05 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.53 104.26 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 107.147 -1.427 . . . . 25.0 107.147 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.5 m -70.26 149.14 47.75 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.568 -1.196 . . . . 25.0 109.239 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -87.06 175.07 8.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 104.898 -2.26 . . . . 25.0 104.898 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 p30 . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 118.691 -0.671 . . . . 25.0 109.48 175.105 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.786 -0.626 . . . . 25.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 t -117.49 156.07 28.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.0 5.22 24.02 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.613 1.165 . . . . 25.0 109.314 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.65 156.76 22.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.06 44.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 123.512 1.625 . . . . 25.0 107.596 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.45 -30.43 37.56 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 112.755 -2.021 . . . . 25.0 109.764 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -93.54 13.03 23.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.746 -1.115 . . . . 25.0 113.8 -175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.01 -121.52 7.26 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 102.234 -4.346 . . . . 25.0 102.234 -167.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.42 155.6 0.73 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.577 1.656 . . . . 25.0 114.791 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.55 -12.01 6.67 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 111.68 -2.509 . . . . 25.0 108.882 -169.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -54.91 -42.27 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 122.345 1.069 . . . . 25.0 109.377 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -77.43 97.78 5.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 167.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -61.99 -7.89 4.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -18.29 61.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.318 0.58 . . . . 25.0 112.289 172.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.9 78.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.49 98.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.641 0.734 . . . . 25.0 110.635 177.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.36 99.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.222 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.32 88.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.979 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -63.16 -31.54 72.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.89 0.376 . . . . 25.0 111.123 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.3 -40.86 50.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.725 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.81 -35.15 72.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.73 0.3 . . . . 25.0 110.498 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.18 -9.04 28.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -103.63 5.77 36.69 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.06 -0.4 . . . . 25.0 110.722 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.99 7.7 85.09 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.68 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.86 161.63 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -14.48 61.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.13 -164.98 26.09 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 107.782 -2.127 . . . . 25.0 107.782 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.11 167.81 30.1 Favored Glycine 0 C--N 1.323 -0.154 0 CA-C-N 118.467 1.133 . . . . 25.0 111.292 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -137.05 160.93 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m -105.92 133.21 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -81.32 163.34 22.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.71 1.44 5.66 Favored Glycine 0 C--O 1.217 -0.912 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -109.27 20.89 17.78 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.559 0.68 . . . . 25.0 110.614 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.63 30.04 18.43 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.434 1.094 . . . . 25.0 110.971 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mt -96.16 141.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.19 126.52 46.48 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -120.72 103.58 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.1 m -69.69 148.51 49.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.356 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -85.78 175.05 8.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 104.581 -2.377 . . . . 25.0 104.581 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 118.707 -0.664 . . . . 25.0 109.365 175.436 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -112.6 159.43 18.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.6 0.636 . . . . 25.0 111.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.9 t -108.99 0.96 20.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.499 1.12 . . . . 25.0 108.383 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -70.81 157.26 38.4 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.274 1.213 . . . . 25.0 114.274 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 123.491 1.615 . . . . 25.0 107.224 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 tp -71.1 -31.08 67.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.728 -2.033 . . . . 25.0 108.403 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -85.38 11.41 10.35 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.16 -121.1 6.57 Favored Glycine 0 N--CA 1.442 -0.946 1 N-CA-C 102.824 -4.11 . . . . 25.0 102.824 -171.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.12 158.89 0.32 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 123.125 1.441 . . . . 25.0 114.57 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.24 15.04 22.72 Favored Glycine 0 C--N 1.32 -0.355 0 CA-C-N 112.781 -2.009 . . . . 25.0 110.545 -170.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.95 -37.34 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.775 0.798 . . . . 25.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.53 109.96 8.43 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -61.71 -5.06 1.7 Allowed 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -14.86 48.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.373 0.606 . . . . 25.0 111.611 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.67 65.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.997 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -45.05 94.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.719 0.771 . . . . 25.0 111.246 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.8 99.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.082 -0.963 . . . . 25.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.87 88.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.527 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.0 -36.27 79.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.174 0.511 . . . . 25.0 110.405 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.88 -41.36 59.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.799 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.68 -35.53 72.74 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.796 0.331 . . . . 25.0 110.594 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.99 -11.09 55.85 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -99.46 4.17 46.0 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.006 -0.433 . . . . 25.0 110.4 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.38 11.46 80.38 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.976 -0.631 . . . . 25.0 112.59 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.95 163.79 23.06 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.145 -1.057 . . . . 25.0 108.145 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.81 64.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.277 0.631 . . . . 25.0 112.315 177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.09 -165.02 26.38 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 107.796 -2.121 . . . . 25.0 107.796 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.45 169.18 31.0 Favored Glycine 0 CA--C 1.511 -0.18 0 CA-C-N 118.324 1.062 . . . . 25.0 111.036 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -136.96 161.1 36.96 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.59 135.42 47.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 25.0 111.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -82.35 162.66 22.14 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.54 2.47 5.88 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.781 1.072 . . . . 25.0 115.781 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -109.98 21.53 16.71 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 117.505 0.653 . . . . 25.0 110.758 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.06 28.11 16.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.469 1.108 . . . . 25.0 111.582 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.96 141.21 15.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.86 128.02 52.9 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.26 105.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.8 m -70.92 149.93 46.23 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.628 -1.169 . . . . 25.0 109.948 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -89.15 175.01 7.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.767 -2.308 . . . . 25.0 104.767 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.77 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.602 -0.714 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 t -116.81 158.23 24.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.777 0.717 . . . . 25.0 111.709 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.7 t -108.99 4.76 23.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.505 1.122 . . . . 25.0 108.704 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.07 151.73 39.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 45.36 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 123.633 1.683 . . . . 25.0 106.629 172.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.0 tp -72.54 -30.59 64.58 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 112.568 -2.106 . . . . 25.0 109.271 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.05 11.87 8.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.73 -120.51 6.79 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 104.642 -3.383 . . . . 25.0 104.642 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.88 158.05 0.35 Allowed 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.72 14.97 30.44 Favored Glycine 0 C--N 1.32 -0.332 0 CA-C-N 112.667 -2.061 . . . . 25.0 110.049 -170.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.92 -39.01 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 122.025 0.917 . . . . 25.0 111.038 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.71 115.05 15.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 171.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -61.82 -2.87 0.95 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.773 1.768 . . . . 25.0 115.773 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.09 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.314 0.578 . . . . 25.0 111.379 171.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.3 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.484 -0.78 . . . . 25.0 111.963 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.63 94.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.69 0.757 . . . . 25.0 110.666 177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.61 98.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.048 -0.978 . . . . 25.0 109.517 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.25 87.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.237 -0.892 . . . . 25.0 111.238 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.94 -32.79 73.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.062 0.458 . . . . 25.0 110.695 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.7 m -77.31 -42.79 35.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.205 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.59 -34.58 71.25 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.008 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.14 -13.33 57.86 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.453 0.908 . . . . 25.0 113.453 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -102.17 5.74 40.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.168 -0.333 . . . . 25.0 110.72 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.12 9.23 84.42 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.011 -0.614 . . . . 25.0 112.83 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -78.79 161.6 26.7 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -16.57 63.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.26 -165.02 25.29 Favored Glycine 0 C--O 1.224 -0.52 0 N-CA-C 107.561 -2.215 . . . . 25.0 107.561 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.21 172.05 33.44 Favored Glycine 0 C--O 1.229 -0.156 0 CA-C-N 118.532 1.166 . . . . 25.0 111.611 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -137.08 160.99 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.17 139.66 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.95 162.83 16.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.924 -1.509 . . . . 25.0 106.924 171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -0.78 11.33 Favored Glycine 0 C--O 1.217 -0.964 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -100.15 15.01 28.84 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 117.204 0.502 . . . . 25.0 110.524 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.78 29.56 18.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.382 1.073 . . . . 25.0 111.051 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.5 142.57 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.82 128.34 52.96 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.704 -0.851 . . . . 25.0 108.704 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -116.09 100.96 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 -176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.69 149.68 46.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.716 -1.129 . . . . 25.0 109.458 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 174.89 7.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--O 1.239 0.516 0 CA-C-O 118.712 -0.661 . . . . 25.0 109.7 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -119.5 158.14 26.87 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.695 0.679 . . . . 25.0 112.367 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -108.41 7.3 26.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.651 1.18 . . . . 25.0 108.821 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.46 158.52 29.28 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.259 1.207 . . . . 25.0 114.259 -176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.74 45.52 1.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 123.589 1.662 . . . . 25.0 106.583 173.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.38 -34.9 41.57 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.706 -2.043 . . . . 25.0 111.401 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -89.67 9.47 26.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.98 -125.23 6.56 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 106.463 -2.655 . . . . 25.0 106.463 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.16 160.03 0.25 Allowed 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 115.948 1.833 . . . . 25.0 115.948 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 14.02 14.76 Favored Glycine 0 C--N 1.318 -0.447 0 CA-C-N 112.418 -2.174 . . . . 25.0 110.989 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.11 -37.42 61.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 122.4 1.095 . . . . 25.0 108.974 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -76.95 104.61 7.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.776 -2.305 . . . . 25.0 104.776 167.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -62.71 -2.47 1.15 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.051 1.871 . . . . 25.0 116.051 -173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -16.26 52.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.561 0.696 . . . . 25.0 111.623 172.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.64 -38.07 69.04 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.18 -0.918 . . . . 25.0 112.878 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.73 98.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.876 0.846 . . . . 25.0 111.144 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.97 97.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.669 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.2 87.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.237 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -61.91 -34.55 76.25 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.162 0.506 . . . . 25.0 110.52 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -75.59 -40.45 56.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.043 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.71 -36.5 74.35 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.768 0.318 . . . . 25.0 110.705 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.11 -20.21 65.81 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -87.3 1.64 52.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.016 -0.428 . . . . 25.0 111.159 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 12.9 73.37 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.08 -0.581 . . . . 25.0 112.33 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.77 164.97 18.19 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.1 62.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.726 0.81 . . . . 25.0 112.515 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.0 -165.16 25.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 107.809 -2.117 . . . . 25.0 107.809 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.59 169.41 28.47 Favored Glycine 0 CA--C 1.509 -0.305 0 N-CA-C 110.199 -1.16 . . . . 25.0 110.199 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -136.98 160.94 37.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.47 129.46 55.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.94 0.4 . . . . 25.0 111.277 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -80.04 162.6 24.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 173.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.21 1.68 4.81 Favored Glycine 0 C--O 1.218 -0.849 0 N-CA-C 116.416 1.326 . . . . 25.0 116.416 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.38 22.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 117.682 0.741 . . . . 25.0 110.91 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.21 28.4 17.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.532 1.133 . . . . 25.0 111.352 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.02 138.79 20.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.78 126.48 51.9 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.62 106.56 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.09 150.29 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.2 -1.364 . . . . 25.0 109.681 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -88.72 -179.55 6.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 118.518 -0.753 . . . . 25.0 110.254 174.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.656 -0.688 . . . . 25.0 109.434 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -119.93 157.76 28.1 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.743 0.701 . . . . 25.0 112.447 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.81 8.68 26.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.527 1.131 . . . . 25.0 108.746 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.86 156.53 30.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 46.49 1.68 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.771 1.748 . . . . 25.0 106.615 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 tp -79.21 -34.43 42.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 112.423 -2.171 . . . . 25.0 111.01 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -89.06 9.07 26.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -175.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.68 -124.79 6.41 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.944 -2.462 . . . . 25.0 106.944 -174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.84 160.72 0.42 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 14.65 15.31 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 112.34 -2.209 . . . . 25.0 110.837 -173.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.88 -37.05 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 122.413 1.101 . . . . 25.0 109.254 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -76.04 105.55 7.15 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 104.856 -2.275 . . . . 25.0 104.856 168.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -62.15 -2.05 0.86 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.344 1.979 . . . . 25.0 116.344 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -16.49 55.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.577 0.703 . . . . 25.0 111.584 172.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.25 69.7 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.846 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.21 99.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.939 0.876 . . . . 25.0 111.028 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.11 97.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.778 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.1 86.65 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.009 -0.996 . . . . 25.0 111.088 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -61.85 -34.75 76.53 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.127 0.489 . . . . 25.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.0 -41.12 60.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.887 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.65 -36.55 74.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.884 0.374 . . . . 25.0 110.827 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.0 -20.42 65.89 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -87.69 1.57 53.4 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.069 -0.395 . . . . 25.0 111.171 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.97 12.96 73.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.023 -0.608 . . . . 25.0 112.444 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -85.15 165.03 17.77 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -15.34 60.56 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.67 0.788 . . . . 25.0 112.84 177.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.72 -165.14 25.12 Favored Glycine 0 C--O 1.219 -0.782 0 N-CA-C 107.741 -2.144 . . . . 25.0 107.741 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.66 170.21 29.14 Favored Glycine 0 CA--C 1.51 -0.254 0 CA-C-N 118.167 0.984 . . . . 25.0 110.661 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.04 160.58 38.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.67 130.23 55.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.027 0.441 . . . . 25.0 111.929 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.13 162.9 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.2 0.73 5.83 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 116.629 1.412 . . . . 25.0 116.629 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -110.46 23.1 14.68 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 117.74 0.77 . . . . 25.0 110.895 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.4 28.84 17.06 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.65 1.18 . . . . 25.0 111.318 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mt -94.92 138.5 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.824 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -104.51 126.72 51.86 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.15 -0.932 . . . . 25.0 108.524 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.64 104.74 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.6 m -68.76 150.07 48.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.266 -1.333 . . . . 25.0 109.532 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -88.1 -179.8 6.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.868 -1.901 . . . . 25.0 105.868 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 p30 . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 118.653 -0.689 . . . . 25.0 110.376 175.016 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.682 -0.675 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -115.08 159.68 20.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.553 0.615 . . . . 25.0 111.405 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 t -108.93 1.4 20.71 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.482 1.113 . . . . 25.0 108.506 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -71.57 159.05 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.71 45.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.368 1.556 . . . . 25.0 107.366 171.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.26 -32.18 58.7 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.77 -2.014 . . . . 25.0 108.831 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 m -82.66 8.83 10.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.33 -125.5 8.54 Favored Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 104.161 -3.576 . . . . 25.0 104.161 -173.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.5 161.28 0.33 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 176.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.99 14.94 17.65 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-N 112.62 -2.082 . . . . 25.0 111.082 -170.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.09 -36.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.839 0.828 . . . . 25.0 111.534 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.76 107.17 5.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 168.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -60.53 -3.71 0.74 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -14.78 43.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.471 0.653 . . . . 25.0 111.37 171.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.617 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -44.45 94.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.838 0.828 . . . . 25.0 111.069 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.78 97.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.876 -1.056 . . . . 25.0 109.504 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.19 88.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.318 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -61.93 -34.2 75.65 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 25.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -76.2 -40.32 52.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.142 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.72 -36.07 73.68 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.775 0.322 . . . . 25.0 110.713 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.0 -20.15 65.69 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -88.07 2.04 52.86 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.973 -0.455 . . . . 25.0 111.154 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.58 12.87 74.3 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.157 -0.544 . . . . 25.0 112.403 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -84.09 164.96 18.9 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -18.22 63.41 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.712 0.805 . . . . 25.0 112.343 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.92 -164.96 26.03 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.25 169.49 27.55 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.94 160.8 37.83 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.9 129.59 55.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.048 0.451 . . . . 25.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.15 162.73 26.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.12 2.39 4.04 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 116.692 1.437 . . . . 25.0 116.692 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -113.69 24.66 11.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 117.727 0.763 . . . . 25.0 111.11 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.39 28.98 17.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.575 1.15 . . . . 25.0 111.382 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -95.0 138.94 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.03 126.84 52.5 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.007 -0.997 . . . . 25.0 108.341 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.19 107.6 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.1 m -69.25 150.89 46.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.171 -1.377 . . . . 25.0 110.274 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -89.57 -180.0 5.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 p30 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 118.567 -0.73 . . . . 25.0 110.213 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 118.531 -0.747 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -117.98 156.7 28.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.741 0.7 . . . . 25.0 112.474 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 t -108.67 7.84 26.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.455 1.102 . . . . 25.0 108.856 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.78 158.14 25.7 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.19 45.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 123.581 1.658 . . . . 25.0 107.082 171.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.36 -34.58 55.02 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 112.476 -2.147 . . . . 25.0 110.738 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -88.03 9.27 22.99 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.08 -125.02 7.37 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 105.664 -2.974 . . . . 25.0 105.664 -174.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.57 160.68 0.26 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 115.994 1.85 . . . . 25.0 115.994 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.6 13.99 19.0 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 112.373 -2.194 . . . . 25.0 110.628 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.56 -35.85 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 122.321 1.058 . . . . 25.0 108.706 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.12 101.28 4.51 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.463 -2.421 . . . . 25.0 104.463 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.88 2.15 0.55 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 116.386 1.995 . . . . 25.0 116.386 -172.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -16.23 54.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 25.0 111.339 171.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.32 70.64 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.229 -0.896 . . . . 25.0 112.982 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -43.47 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.939 0.876 . . . . 25.0 110.987 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.724 -1.125 . . . . 25.0 109.827 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.08 86.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.222 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -61.61 -34.41 75.59 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.136 0.493 . . . . 25.0 110.477 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.57 -39.89 51.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.333 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.84 -36.18 74.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.893 0.378 . . . . 25.0 110.62 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.89 -20.24 65.68 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -87.82 1.82 52.95 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.039 -0.413 . . . . 25.0 111.154 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.99 12.62 73.73 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.119 -0.562 . . . . 25.0 112.307 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.33 164.9 18.68 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.47 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.704 0.801 . . . . 25.0 112.38 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.13 25.92 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 107.648 -2.181 . . . . 25.0 107.648 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.86 168.74 27.45 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 110.089 -1.204 . . . . 25.0 110.089 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -136.88 160.24 39.47 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.388 -0.968 . . . . 25.0 108.388 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.0 m -108.27 129.44 55.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.943 0.402 . . . . 25.0 111.608 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -79.53 162.64 25.26 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.19 1.91 4.58 Favored Glycine 0 C--O 1.218 -0.891 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -111.66 23.12 14.26 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 117.637 0.719 . . . . 25.0 110.974 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.29 29.07 17.27 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.569 1.147 . . . . 25.0 111.19 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -95.28 139.18 19.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.7 126.5 51.84 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -124.75 107.82 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.06 150.26 47.82 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.086 -1.415 . . . . 25.0 109.816 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -88.26 -179.49 6.15 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.4 p30 . . . . . 0 N--CA 1.44 -0.932 0 CA-C-O 118.579 -0.724 . . . . 25.0 110.247 174.613 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 118.568 -0.729 . . . . 25.0 109.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 157.08 30.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.889 0.768 . . . . 25.0 112.721 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -108.99 8.43 26.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.52 1.128 . . . . 25.0 108.789 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -61.82 155.84 22.11 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.315 1.228 . . . . 25.0 114.315 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.72 45.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 123.452 1.596 . . . . 25.0 106.818 172.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.55 -34.63 63.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.561 -2.109 . . . . 25.0 109.974 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 m -87.46 12.55 11.98 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.09 -121.56 7.25 Favored Glycine 0 N--CA 1.442 -0.904 1 N-CA-C 102.407 -4.277 . . . . 25.0 102.407 -166.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.75 157.04 0.42 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 123.527 1.632 . . . . 25.0 114.765 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.86 -1.8 19.73 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 111.812 -2.449 . . . . 25.0 109.223 -168.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.1 -39.23 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 122.561 1.172 . . . . 25.0 109.044 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.72 101.89 8.68 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 104.464 -2.421 . . . . 25.0 104.464 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -62.65 -4.03 1.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.866 1.802 . . . . 25.0 115.866 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -17.11 59.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.462 0.649 . . . . 25.0 111.727 171.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.28 68.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.549 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.575 0.703 . . . . 25.0 111.006 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.626 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.21 88.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.396 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.55 -37.07 82.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 25.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.76 -42.0 64.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 25.0 110.463 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.52 -36.31 73.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.754 0.312 . . . . 25.0 110.711 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.2 -16.64 64.16 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -92.33 2.75 56.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.914 -0.491 . . . . 25.0 110.724 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.27 79.37 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 121.117 -0.563 . . . . 25.0 112.498 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.81 163.25 23.59 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -5.68 28.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.7 -164.95 24.91 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 108.299 -1.92 . . . . 25.0 108.299 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.99 168.29 35.64 Favored Glycine 0 C--O 1.229 -0.202 0 CA-C-N 118.668 1.234 . . . . 25.0 110.757 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -137.02 160.95 37.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 117.91 0.855 . . . . 25.0 109.362 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.9 m -106.21 132.73 51.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -79.3 161.58 26.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 1.01 7.92 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -107.27 20.26 19.2 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 117.298 0.549 . . . . 25.0 110.659 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.58 28.0 16.46 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.711 1.205 . . . . 25.0 111.651 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.12 139.87 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.92 128.41 53.16 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.86 104.63 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.39 151.08 45.6 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.592 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -83.18 174.99 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 118.658 -0.687 . . . . 25.0 109.373 173.59 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.962 -0.542 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -113.47 147.88 37.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.282 0.492 . . . . 25.0 111.799 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.9 t -109.12 1.61 20.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.04 0.936 . . . . 25.0 109.27 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -68.46 155.23 40.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.87 45.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 123.615 1.674 . . . . 25.0 107.169 173.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.89 -32.43 45.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.164 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 m -83.17 11.7 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.291 1.219 . . . . 25.0 114.291 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.82 -120.13 6.08 Favored Glycine 0 N--CA 1.439 -1.102 1 N-CA-C 102.797 -4.121 . . . . 25.0 102.797 -169.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.98 158.27 0.34 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 123.544 1.64 . . . . 25.0 114.715 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.82 11.22 25.12 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 112.067 -2.333 . . . . 25.0 110.482 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.24 -39.22 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.937 0.875 . . . . 25.0 109.418 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -77.98 103.65 8.05 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 104.033 -2.58 . . . . 25.0 104.033 166.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -64.71 3.17 0.55 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.075 1.88 . . . . 25.0 116.075 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -15.43 56.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.534 0.683 . . . . 25.0 111.032 170.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.02 65.84 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.421 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.19 94.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.737 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.51 96.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.004 -0.998 . . . . 25.0 109.515 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.89 85.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.397 -0.82 . . . . 25.0 111.318 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -61.72 -31.48 71.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.038 0.447 . . . . 25.0 110.8 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -80.13 -41.25 25.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.57 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.49 -34.82 71.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.495 -0.321 . . . . 25.0 110.561 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.92 -9.39 29.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.49 7.46 30.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 122.144 -0.347 . . . . 25.0 110.631 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 7.48 86.81 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.03 -0.605 . . . . 25.0 112.848 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.58 161.56 26.91 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -18.06 65.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.77 -165.05 25.97 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.446 -2.261 . . . . 25.0 107.446 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.0 174.06 31.82 Favored Glycine 0 C--O 1.23 -0.103 0 CA-C-N 118.449 1.125 . . . . 25.0 111.449 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -137.06 160.92 37.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.7 m -104.03 137.49 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.897 0.38 . . . . 25.0 111.682 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -92.14 163.19 14.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.0 2.56 3.77 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 117.766 1.866 . . . . 25.0 117.766 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -110.77 23.51 14.09 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 117.995 0.898 . . . . 25.0 110.233 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.13 28.32 18.0 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.536 1.134 . . . . 25.0 111.24 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mt -93.85 138.71 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 106.476 -1.676 . . . . 25.0 106.476 175.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.92 126.98 52.56 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.78 104.72 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -69.6 150.92 46.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.991 -1.459 . . . . 25.0 110.489 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.2 mtt85 -92.35 175.09 6.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 173.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.673 -0.68 . . . . 25.0 109.488 176.372 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.512 -0.756 . . . . 25.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -113.54 158.27 20.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.707 0.685 . . . . 25.0 111.088 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -108.59 0.76 20.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.257 1.023 . . . . 25.0 108.706 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -74.8 160.91 30.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 45.08 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 123.245 1.498 . . . . 25.0 107.596 171.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.51 -33.05 42.44 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.862 -1.972 . . . . 25.0 109.502 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.5 m -86.99 9.32 19.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.932 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.01 -125.62 7.97 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 104.432 -3.467 . . . . 25.0 104.432 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.97 161.88 0.33 Allowed 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 123.276 1.512 . . . . 25.0 114.996 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 14.94 10.99 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 112.493 -2.14 . . . . 25.0 111.551 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.63 -36.1 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.93 0.871 . . . . 25.0 109.941 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -76.41 101.79 5.7 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 165.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -62.76 -1.45 0.87 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.992 1.849 . . . . 25.0 115.992 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -15.39 44.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.591 0.71 . . . . 25.0 111.222 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.83 62.67 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.982 -1.008 . . . . 25.0 112.918 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.08 94.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.936 0.874 . . . . 25.0 111.405 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.1 98.49 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.706 -1.134 . . . . 25.0 109.493 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.06 87.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.507 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -61.7 -34.6 76.06 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.187 0.518 . . . . 25.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.42 -39.88 52.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.899 -0.592 . . . . 25.0 111.252 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.89 -36.05 74.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.793 0.33 . . . . 25.0 110.565 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.54 -20.55 66.29 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.977 0.732 . . . . 25.0 112.977 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -87.5 1.39 53.65 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.01 -0.431 . . . . 25.0 110.917 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.39 10.93 76.33 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.187 -0.53 . . . . 25.0 112.737 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -81.58 164.76 21.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.6 -17.33 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -165.14 26.73 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.17 168.03 30.14 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 109.41 -1.476 . . . . 25.0 109.41 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -137.03 160.91 37.52 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.02 129.73 54.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.937 0.399 . . . . 25.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -80.06 162.69 24.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.297 -1.371 . . . . 25.0 107.297 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 3.21 4.13 Favored Glycine 0 C--O 1.219 -0.804 0 N-CA-C 116.19 1.236 . . . . 25.0 116.19 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -111.21 22.11 15.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 117.529 0.664 . . . . 25.0 111.011 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.02 28.27 17.12 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.444 1.098 . . . . 25.0 111.429 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.18 138.87 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.613 -1.625 . . . . 25.0 106.613 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.43 126.44 51.53 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.835 -1.075 . . . . 25.0 108.14 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.29 105.71 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.46 150.29 47.37 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.288 -1.324 . . . . 25.0 110.102 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 -179.77 6.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 172.595 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 118.749 -0.643 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.49 158.18 24.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.697 0.68 . . . . 25.0 111.235 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -108.92 0.56 20.22 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.464 1.106 . . . . 25.0 108.562 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -66.3 158.36 29.27 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 45.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 123.618 1.675 . . . . 25.0 106.961 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.6 tp -71.53 -31.76 67.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.633 -2.076 . . . . 25.0 109.109 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 11.86 10.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.89 -121.18 6.82 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 103.261 -3.935 . . . . 25.0 103.261 -170.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.96 158.29 0.34 Allowed 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 123.31 1.528 . . . . 25.0 114.832 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.6 14.97 26.14 Favored Glycine 0 C--O 1.226 -0.346 0 CA-C-N 112.461 -2.154 . . . . 25.0 110.021 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.41 -36.38 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 122.293 1.044 . . . . 25.0 110.491 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.57 109.34 11.44 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.882 -2.266 . . . . 25.0 104.882 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -60.92 -5.15 1.22 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -173.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.36 48.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.481 0.658 . . . . 25.0 111.69 172.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.28 -32.59 64.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.241 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -45.02 93.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.753 0.787 . . . . 25.0 110.864 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.96 97.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.404 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.47 87.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.497 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -61.53 -32.36 72.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.074 0.464 . . . . 25.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -79.32 -40.87 29.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.771 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.61 -34.9 71.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.81 0.338 . . . . 25.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.15 -8.84 26.38 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -105.31 6.6 32.89 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.104 -0.373 . . . . 25.0 110.531 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.18 8.05 85.99 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.021 -0.609 . . . . 25.0 112.71 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -78.76 161.91 26.51 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -17.07 64.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.73 -164.93 26.29 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 107.813 -2.115 . . . . 25.0 107.813 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.4 170.97 31.0 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 118.371 1.086 . . . . 25.0 111.306 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -137.04 160.98 37.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.55 136.5 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 25.0 112.092 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.73 162.71 22.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.14 1.28 6.54 Favored Glycine 0 C--O 1.22 -0.761 0 N-CA-C 115.914 1.126 . . . . 25.0 115.914 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.06 23.57 13.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 117.562 0.681 . . . . 25.0 110.988 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.73 27.79 16.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.632 1.173 . . . . 25.0 112.011 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 106.53 -1.656 . . . . 25.0 106.53 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -105.06 128.55 53.38 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.67 106.04 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.58 150.83 45.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -91.0 175.08 7.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 p30 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.525 175.781 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 118.59 -0.719 . . . . 25.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -115.26 158.03 22.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.729 0.695 . . . . 25.0 111.576 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 t -108.48 2.46 22.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.621 1.168 . . . . 25.0 108.952 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.15 160.44 31.21 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 46.32 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.713 1.72 . . . . 25.0 106.965 172.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.5 tp -80.05 -34.64 38.03 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.59 -2.096 . . . . 25.0 109.692 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.48 9.25 16.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -125.06 7.18 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 105.596 -3.001 . . . . 25.0 105.596 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.41 161.7 0.43 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.09 1.515 . . . . 25.0 115.09 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.64 14.86 11.86 Favored Glycine 0 C--N 1.318 -0.44 0 CA-C-N 112.418 -2.174 . . . . 25.0 111.528 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.69 -38.23 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 122.074 0.94 . . . . 25.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.84 105.75 8.09 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 105.051 -2.203 . . . . 25.0 105.051 167.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -62.11 -3.37 1.24 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.816 1.784 . . . . 25.0 115.816 -173.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -15.54 47.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.67 0.748 . . . . 25.0 111.521 171.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.11 65.26 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.154 -0.93 . . . . 25.0 112.719 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.51 95.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.903 0.859 . . . . 25.0 111.206 177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.11 98.04 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.535 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.02 87.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.908 -1.042 . . . . 25.0 111.434 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -61.77 -34.28 75.6 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.172 0.511 . . . . 25.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -76.5 -40.31 50.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.09 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.72 -36.22 73.94 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.784 0.326 . . . . 25.0 110.702 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -64.0 -20.21 65.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -88.14 1.83 53.47 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 122.045 -0.41 . . . . 25.0 111.091 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.86 12.85 73.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.327 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -84.2 164.9 18.82 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.81 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.531 0.732 . . . . 25.0 112.493 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.05 25.93 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.04 27.85 Favored Glycine 0 CA--C 1.508 -0.346 0 N-CA-C 110.039 -1.224 . . . . 25.0 110.039 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.64 160.74 37.89 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.59 129.64 55.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 25.0 111.498 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.49 162.33 26.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.69 2.56 4.5 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 116.365 1.306 . . . . 25.0 116.365 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -111.88 23.16 14.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 117.592 0.696 . . . . 25.0 110.948 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.48 28.59 16.84 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.529 1.131 . . . . 25.0 111.305 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mt -95.04 139.13 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.801 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.78 126.76 52.18 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.89 107.38 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.08 150.75 47.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.223 -1.353 . . . . 25.0 110.075 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -89.52 -179.71 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 p30 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.333 174.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -119.1 161.31 20.51 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.598 0.635 . . . . 25.0 111.258 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 t -106.98 -0.9 22.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.556 1.143 . . . . 25.0 108.239 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.25 154.4 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 44.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.505 1.621 . . . . 25.0 106.776 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -71.41 -29.5 64.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.739 -2.028 . . . . 25.0 108.857 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -83.74 11.4 7.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.25 -120.07 6.49 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 104.308 -3.517 . . . . 25.0 104.308 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.0 159.59 0.25 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 123.199 1.476 . . . . 25.0 114.363 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.05 15.07 27.11 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 112.752 -2.022 . . . . 25.0 110.498 -170.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.47 -36.8 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.915 0.864 . . . . 25.0 111.672 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.11 112.87 10.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -59.09 -7.95 1.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -13.77 35.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.226 0.536 . . . . 25.0 111.736 171.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.29 64.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.455 0.702 . . . . 25.0 112.008 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.52 91.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.737 0.779 . . . . 25.0 110.714 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.35 99.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 25.0 109.357 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.09 89.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.38 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -61.83 -36.03 79.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.976 0.417 . . . . 25.0 110.026 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.91 -42.03 63.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.623 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.06 -35.4 73.29 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.791 0.329 . . . . 25.0 110.616 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.61 -8.31 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -107.32 7.63 29.32 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.16 -0.337 . . . . 25.0 110.341 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.36 7.35 86.67 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.028 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.01 161.47 26.59 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.54 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.82 -165.01 25.18 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 107.27 -2.332 . . . . 25.0 107.27 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.05 173.47 34.0 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 118.706 1.253 . . . . 25.0 111.645 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -137.03 161.05 37.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.6 m -102.28 135.11 44.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 25.0 111.553 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -81.37 163.35 22.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.03 1.4 6.15 Favored Glycine 0 C--O 1.219 -0.827 0 N-CA-C 115.843 1.097 . . . . 25.0 115.843 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -111.86 22.57 14.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 117.523 0.662 . . . . 25.0 110.98 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.45 25.69 15.31 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.838 1.255 . . . . 25.0 112.266 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.1 141.33 14.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.99 128.58 53.35 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.5 104.39 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -71.7 151.01 43.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.403 -1.271 . . . . 25.0 110.135 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.5 mtt85 -86.04 175.03 8.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 174.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.938 -0.554 . . . . 25.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -117.88 163.01 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.251 0.478 . . . . 25.0 112.09 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 t -109.01 3.08 21.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.619 1.168 . . . . 25.0 108.392 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -64.06 155.43 31.32 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.97 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -69.56 -31.99 70.5 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 112.56 -2.109 . . . . 25.0 109.248 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -83.81 11.41 7.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 115.283 1.586 . . . . 25.0 115.283 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.25 -121.09 6.71 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 103.292 -3.923 . . . . 25.0 103.292 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.04 158.57 0.33 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 123.162 1.458 . . . . 25.0 114.672 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 14.87 25.71 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 112.62 -2.082 . . . . 25.0 109.783 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -56.13 -35.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.927 0.87 . . . . 25.0 110.746 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -72.42 109.94 6.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.421 -2.066 . . . . 25.0 105.421 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.76 -7.05 2.04 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.941 1.46 . . . . 25.0 114.941 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.83 -13.7 36.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.17 0.51 . . . . 25.0 111.889 171.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.08 67.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.417 0.687 . . . . 25.0 111.648 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -45.12 93.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.768 0.794 . . . . 25.0 111.061 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.55 99.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.566 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.93 88.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.411 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.86 -36.31 80.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 25.0 110.4 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.95 -41.49 64.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.575 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -58.63 -36.32 73.89 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.857 0.36 . . . . 25.0 110.544 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.68 -14.22 62.22 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -94.97 2.96 55.43 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.491 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.56 77.66 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 121.099 -0.572 . . . . 25.0 112.515 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -81.67 164.32 21.89 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -17.53 64.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.179 0.592 . . . . 25.0 112.292 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.34 -164.97 26.48 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.911 -2.075 . . . . 25.0 107.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.56 170.46 32.34 Favored Glycine 0 CA--C 1.512 -0.109 0 CA-C-N 118.452 1.126 . . . . 25.0 111.383 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -137.01 160.91 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -102.72 136.78 41.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.798 0.333 . . . . 25.0 111.247 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.65 163.23 18.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.41 3.53 4.53 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 115.99 1.156 . . . . 25.0 115.99 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.23 18.86 20.61 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 117.338 0.569 . . . . 25.0 110.745 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.8 27.61 16.88 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.508 1.123 . . . . 25.0 111.445 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.98 142.12 14.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.558 -1.645 . . . . 25.0 106.558 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -103.7 128.9 50.99 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -121.86 104.11 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.14 150.44 45.42 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.725 -1.125 . . . . 25.0 109.948 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 175.02 7.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.729 -0.653 . . . . 25.0 109.437 176.619 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.917 -0.563 . . . . 25.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -115.39 159.28 21.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.225 0.536 . . . . 25.0 112.263 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 t -108.95 0.52 20.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.653 1.181 . . . . 25.0 108.521 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.46 155.19 29.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 45.19 1.0 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 123.505 1.621 . . . . 25.0 107.365 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -75.23 -33.62 61.36 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 112.904 -1.953 . . . . 25.0 109.302 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -86.86 11.56 13.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.589 -1.187 . . . . 25.0 114.203 -175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.37 -121.26 6.52 Favored Glycine 0 N--CA 1.441 -1.01 1 N-CA-C 101.63 -4.588 . . . . 25.0 101.63 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.11 158.19 0.38 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 123.612 1.672 . . . . 25.0 114.532 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.39 3.23 24.24 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 111.907 -2.406 . . . . 25.0 109.105 -168.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.13 -38.1 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.167 0.984 . . . . 25.0 109.107 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.38 99.44 5.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 167.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -62.22 -4.43 1.75 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.507 1.669 . . . . 25.0 115.507 -173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -16.09 55.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.268 0.556 . . . . 25.0 111.879 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -37.78 72.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.022 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -44.24 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.757 0.789 . . . . 25.0 111.043 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.1 99.05 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.017 -0.992 . . . . 25.0 109.792 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.79 88.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.248 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -62.39 -30.41 71.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.982 0.42 . . . . 25.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.0 m -80.65 -40.07 26.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.937 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.91 -34.62 71.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.714 0.292 . . . . 25.0 110.331 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.56 -9.04 23.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -105.16 6.39 33.06 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.132 -0.355 . . . . 25.0 110.708 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.96 8.82 85.26 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.997 -0.621 . . . . 25.0 112.758 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.33 161.97 26.82 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -17.19 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.164 0.585 . . . . 25.0 112.247 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.73 -165.03 26.61 Favored Glycine 0 CA--C 1.506 -0.488 0 N-CA-C 107.522 -2.231 . . . . 25.0 107.522 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.97 167.52 28.29 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 110.508 -1.037 . . . . 25.0 110.508 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -137.07 160.93 37.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.46 131.16 53.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.952 0.406 . . . . 25.0 111.192 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.53 163.57 26.18 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.25 -0.48 7.77 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 115.599 0.999 . . . . 25.0 115.599 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -108.21 20.06 19.14 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 117.391 0.596 . . . . 25.0 110.919 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.99 30.38 17.98 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.424 1.09 . . . . 25.0 111.205 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -96.17 140.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 106.517 -1.66 . . . . 25.0 106.517 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -99.98 126.93 46.23 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.26 107.51 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 -175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.89 149.47 47.8 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.592 -1.186 . . . . 25.0 109.93 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -87.54 175.05 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 118.655 -0.688 . . . . 25.0 109.408 175.087 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -115.92 162.54 17.19 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.325 0.511 . . . . 25.0 111.788 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -108.36 0.95 21.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.543 1.137 . . . . 25.0 108.484 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.24 154.04 36.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.76 45.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.639 1.685 . . . . 25.0 107.069 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.2 tp -70.37 -29.45 66.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.674 -2.057 . . . . 25.0 108.358 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -77.96 10.21 3.03 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 116.227 1.936 . . . . 25.0 116.227 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.77 -121.14 6.14 Favored Glycine 0 N--CA 1.439 -1.12 1 N-CA-C 102.996 -4.042 . . . . 25.0 102.996 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.99 157.94 0.37 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-O 123.131 1.443 . . . . 25.0 114.579 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 15.13 33.06 Favored Glycine 0 C--O 1.222 -0.65 0 CA-C-N 112.808 -1.996 . . . . 25.0 109.915 -168.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -49.79 -37.41 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.005 0.922 . . . . 25.0 113.156 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -76.1 119.14 19.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.433 -1.692 . . . . 25.0 106.433 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -59.06 -6.53 0.86 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -14.03 38.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.157 0.503 . . . . 25.0 111.712 171.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -33.8 66.01 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.402 0.681 . . . . 25.0 111.883 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -45.31 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.815 0.817 . . . . 25.0 110.892 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.4 99.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.98 -1.009 . . . . 25.0 109.394 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.304 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -61.74 -34.14 75.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.141 0.496 . . . . 25.0 110.696 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.2 m -75.91 -42.13 49.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.453 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 mt -58.74 -34.65 71.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.712 0.292 . . . . 25.0 110.603 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.73 -10.21 44.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -102.67 5.82 39.24 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.003 -0.436 . . . . 25.0 110.279 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.35 83.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.031 -0.604 . . . . 25.0 112.727 -176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.35 163.52 24.79 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -17.65 64.65 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.294 0.638 . . . . 25.0 112.527 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.75 -165.02 25.68 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 107.725 -2.15 . . . . 25.0 107.725 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.46 171.3 32.94 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 118.471 1.136 . . . . 25.0 111.532 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.83 161.1 36.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.79 138.17 40.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -85.33 162.96 18.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.52 3.19 4.97 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 116.129 1.212 . . . . 25.0 116.129 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -111.3 22.41 15.2 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 117.562 0.681 . . . . 25.0 110.686 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.96 26.96 16.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.696 1.198 . . . . 25.0 111.761 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.59 141.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.86 129.18 53.24 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.7 t -119.84 102.57 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.79 149.92 44.86 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.727 -1.124 . . . . 25.0 110.226 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -88.69 174.98 7.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.901 -2.259 . . . . 25.0 104.901 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p30 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 118.683 -0.675 . . . . 25.0 109.416 175.064 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -117.53 165.76 13.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 25.0 111.231 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -108.97 0.93 20.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.382 1.073 . . . . 25.0 108.189 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.46 152.85 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.689 -0.687 . . . . 25.0 112.476 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.41 45.07 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.532 1.634 . . . . 25.0 107.214 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -73.17 -29.53 62.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 112.71 -2.041 . . . . 25.0 108.892 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -82.54 11.03 6.15 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.46 -121.42 6.59 Favored Glycine 0 N--CA 1.44 -1.063 1 N-CA-C 102.92 -4.072 . . . . 25.0 102.92 -172.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 158.86 0.29 Allowed 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 123.263 1.506 . . . . 25.0 114.268 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 15.1 23.7 Favored Glycine 0 C--N 1.317 -0.511 0 CA-C-N 112.56 -2.109 . . . . 25.0 111.186 -170.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.56 -37.58 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.872 0.844 . . . . 25.0 111.109 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -74.33 115.69 14.13 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -59.95 -5.97 1.16 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -15.09 54.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.277 0.561 . . . . 25.0 111.702 171.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.47 -34.14 68.71 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.062 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.803 0.811 . . . . 25.0 110.312 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.29 99.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.798 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.49 90.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.3 -0.864 . . . . 25.0 111.2 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -63.0 -34.39 77.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 25.0 110.609 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.6 m -73.7 -40.88 63.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.525 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.74 -36.4 74.26 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.76 0.314 . . . . 25.0 110.549 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.21 -19.39 65.95 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -90.03 2.08 55.59 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.981 -0.449 . . . . 25.0 110.814 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.14 12.94 72.55 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.18 -0.533 . . . . 25.0 112.687 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.51 164.95 18.47 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.62 65.46 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.366 0.667 . . . . 25.0 112.465 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.65 -164.98 26.59 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 107.621 -2.192 . . . . 25.0 107.621 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.53 171.83 33.0 Favored Glycine 0 C--O 1.229 -0.159 0 CA-C-N 118.476 1.138 . . . . 25.0 111.375 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -137.08 160.95 37.44 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.04 136.27 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.824 0.345 . . . . 25.0 111.421 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.67 163.41 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.28 3.04 4.74 Favored Glycine 0 C--O 1.218 -0.905 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -109.51 19.39 19.33 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 117.378 0.589 . . . . 25.0 110.738 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.55 27.43 16.23 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.586 1.154 . . . . 25.0 111.874 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 mt -96.64 143.19 12.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.89 130.08 48.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.24 103.62 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.06 150.68 45.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.886 -1.052 . . . . 25.0 110.04 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -90.47 175.04 7.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.239 0.502 0 CA-C-O 118.607 -0.711 . . . . 25.0 110.213 176.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.928 -0.558 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -112.05 159.8 18.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 25.0 112.033 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 t -108.96 2.28 21.25 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.396 1.078 . . . . 25.0 109.246 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -63.63 153.64 35.35 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 45.58 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.631 1.681 . . . . 25.0 106.988 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.42 -31.82 48.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.563 -2.108 . . . . 25.0 109.137 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -87.34 12.48 11.89 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.599 1.333 . . . . 25.0 114.599 -175.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.43 -121.67 7.3 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 104.524 -3.43 . . . . 25.0 104.524 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.85 158.58 0.31 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.0 6.73 31.94 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-N 112.233 -2.258 . . . . 25.0 110.311 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.4 -41.73 63.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 122.117 0.96 . . . . 25.0 109.778 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.6 109.24 14.94 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.27 -4.18 1.67 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -14.93 53.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 111.912 172.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -37.0 74.08 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.859 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -44.33 96.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.762 0.791 . . . . 25.0 110.546 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.95 99.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.979 -1.009 . . . . 25.0 109.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.57 87.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.189 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -62.33 -32.42 73.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.986 0.422 . . . . 25.0 110.847 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -78.24 -40.53 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.758 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.77 -34.76 71.81 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.712 0.292 . . . . 25.0 110.419 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.3 mt -66.32 -10.13 39.86 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -102.99 5.23 38.16 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.007 -0.433 . . . . 25.0 110.465 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.9 9.57 82.44 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.774 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -79.25 162.89 25.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -16.92 64.43 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.142 0.577 . . . . 25.0 112.55 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.23 -164.93 26.81 Favored Glycine 0 CA--C 1.507 -0.428 0 N-CA-C 107.457 -2.257 . . . . 25.0 107.457 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 169.25 31.25 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 109.97 -1.252 . . . . 25.0 109.97 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -137.07 160.82 37.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.6 m -106.44 134.17 50.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.19 161.04 27.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.03 0.32 11.77 Favored Glycine 0 C--O 1.218 -0.874 0 N-CA-C 114.287 0.475 . . . . 25.0 114.287 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -104.67 17.97 23.13 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 123.373 0.669 . . . . 25.0 110.585 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.77 28.1 16.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.828 1.251 . . . . 25.0 111.987 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.27 140.99 16.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -101.45 127.2 48.23 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.89 104.32 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.72 150.53 47.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.801 -1.09 . . . . 25.0 110.267 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.34 174.94 7.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.636 -2.357 . . . . 25.0 104.636 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 118.945 -0.55 . . . . 25.0 109.567 176.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -118.19 160.27 21.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.34 0.518 . . . . 25.0 112.263 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.99 1.23 20.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.929 1.292 . . . . 25.0 108.484 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.08 154.72 26.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 45.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.509 1.624 . . . . 25.0 106.783 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.76 -32.67 67.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.469 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -87.33 12.38 12.12 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.814 1.413 . . . . 25.0 114.814 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.95 -121.06 6.79 Favored Glycine 0 N--CA 1.441 -0.978 1 N-CA-C 101.18 -4.768 . . . . 25.0 101.18 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 157.89 0.37 Allowed 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 123.526 1.631 . . . . 25.0 114.334 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.27 4.37 14.04 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 111.934 -2.393 . . . . 25.0 110.212 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.27 -36.85 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 122.351 1.072 . . . . 25.0 108.561 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -75.83 100.03 4.64 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.282 -2.488 . . . . 25.0 104.282 166.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -62.95 -3.35 1.58 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.103 1.52 . . . . 25.0 115.103 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -15.67 48.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.303 0.573 . . . . 25.0 111.653 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.58 67.78 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.555 -0.748 . . . . 25.0 112.067 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.81 92.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.882 0.849 . . . . 25.0 110.485 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.79 98.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.841 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.71 87.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.298 -0.865 . . . . 25.0 111.192 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -62.06 -33.53 74.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.068 0.461 . . . . 25.0 110.566 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -76.75 -41.09 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.637 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.67 -35.53 72.73 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.805 0.336 . . . . 25.0 110.48 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -67.03 -9.66 41.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -102.52 5.39 39.39 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.026 -0.421 . . . . 25.0 110.291 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.98 82.19 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.018 -0.61 . . . . 25.0 112.873 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.76 163.5 23.45 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -17.48 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -164.95 26.22 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 107.488 -2.245 . . . . 25.0 107.488 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.48 171.73 31.67 Favored Glycine 0 N--CA 1.457 0.058 0 CA-C-N 118.434 1.117 . . . . 25.0 111.309 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -137.06 161.06 37.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -104.49 136.61 43.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.07 164.52 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 173.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.88 -0.33 8.67 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -107.56 19.34 20.33 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.497 0.648 . . . . 25.0 110.846 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.48 29.66 18.5 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.209 1.004 . . . . 25.0 110.982 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.94 143.54 11.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.95 129.35 53.37 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.23 104.37 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.23 150.47 46.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.671 -1.15 . . . . 25.0 110.162 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -89.62 174.82 7.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 173.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 118.753 -0.641 . . . . 25.0 109.738 175.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -116.93 157.2 26.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.69 0.677 . . . . 25.0 112.017 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 t -108.92 7.2 25.91 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.384 1.074 . . . . 25.0 108.64 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.5 154.94 27.1 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.799 1.036 . . . . 25.0 113.799 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.48 45.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 171.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.59 -32.82 71.79 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 112.554 -2.112 . . . . 25.0 109.477 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.17 12.09 8.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.36 -120.07 6.39 Favored Glycine 0 N--CA 1.442 -0.902 1 N-CA-C 102.76 -4.136 . . . . 25.0 102.76 -169.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 159.04 0.28 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 123.459 1.599 . . . . 25.0 114.613 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.13 10.97 28.86 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 112.241 -2.254 . . . . 25.0 109.684 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.12 -36.66 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-O 122.307 1.051 . . . . 25.0 108.866 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -77.42 104.91 8.22 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.592 -2.373 . . . . 25.0 104.592 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -62.53 -1.14 0.72 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -15.25 52.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 25.0 111.623 172.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.99 69.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.534 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.96 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.591 0.71 . . . . 25.0 111.008 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.42 97.96 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.542 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.93 88.28 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.133 -0.94 . . . . 25.0 111.427 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -61.93 -35.02 77.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 120.978 0.418 . . . . 25.0 110.627 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -74.02 -42.11 60.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.145 -0.479 . . . . 25.0 110.497 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.8 -35.57 73.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.773 0.321 . . . . 25.0 110.735 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.63 -10.43 45.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -100.61 4.81 43.64 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.086 -0.384 . . . . 25.0 110.549 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.31 82.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.006 -0.616 . . . . 25.0 112.514 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -79.68 162.66 25.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -14.94 61.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.351 0.661 . . . . 25.0 112.627 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.03 25.55 Favored Glycine 0 C--O 1.222 -0.653 0 N-CA-C 107.882 -2.087 . . . . 25.0 107.882 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.61 168.74 30.46 Favored Glycine 0 CA--C 1.51 -0.242 0 CA-C-N 118.214 1.007 . . . . 25.0 110.624 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -136.92 160.83 37.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.2 m -106.76 134.32 50.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.898 0.38 . . . . 25.0 111.791 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -82.2 161.98 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.73 4.03 4.52 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.861 1.104 . . . . 25.0 115.861 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -112.34 23.16 13.94 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 117.521 0.66 . . . . 25.0 110.892 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.53 27.06 16.06 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.718 1.207 . . . . 25.0 111.952 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -95.99 139.64 18.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -105.03 127.83 53.05 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.53 104.26 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 107.147 -1.427 . . . . 25.0 107.147 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.5 m -70.26 149.14 47.75 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.568 -1.196 . . . . 25.0 109.239 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -87.06 175.07 8.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 104.898 -2.26 . . . . 25.0 104.898 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 p30 . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 118.691 -0.671 . . . . 25.0 109.48 175.105 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.786 -0.626 . . . . 25.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 t -117.49 156.07 28.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.0 5.22 24.02 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.613 1.165 . . . . 25.0 109.314 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.65 156.76 22.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.06 44.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 123.512 1.625 . . . . 25.0 107.596 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.45 -30.43 37.56 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 112.755 -2.021 . . . . 25.0 109.764 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -93.54 13.03 23.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.746 -1.115 . . . . 25.0 113.8 -175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.01 -121.52 7.26 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 102.234 -4.346 . . . . 25.0 102.234 -167.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.42 155.6 0.73 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.577 1.656 . . . . 25.0 114.791 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.55 -12.01 6.67 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 111.68 -2.509 . . . . 25.0 108.882 -169.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -54.91 -42.27 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 122.345 1.069 . . . . 25.0 109.377 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -77.43 97.78 5.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 167.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -61.99 -7.89 4.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -18.29 61.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.318 0.58 . . . . 25.0 112.289 172.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.9 78.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.49 98.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.641 0.734 . . . . 25.0 110.635 177.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.36 99.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.222 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.32 88.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.979 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -63.16 -31.54 72.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.89 0.376 . . . . 25.0 111.123 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.3 -40.86 50.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.725 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.81 -35.15 72.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.73 0.3 . . . . 25.0 110.498 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.18 -9.04 28.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -103.63 5.77 36.69 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.06 -0.4 . . . . 25.0 110.722 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.99 7.7 85.09 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.68 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.86 161.63 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -14.48 61.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.13 -164.98 26.09 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 107.782 -2.127 . . . . 25.0 107.782 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.11 167.81 30.1 Favored Glycine 0 C--N 1.323 -0.154 0 CA-C-N 118.467 1.133 . . . . 25.0 111.292 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -137.05 160.93 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m -105.92 133.21 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -81.32 163.34 22.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.71 1.44 5.66 Favored Glycine 0 C--O 1.217 -0.912 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -109.27 20.89 17.78 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.559 0.68 . . . . 25.0 110.614 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.63 30.04 18.43 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.434 1.094 . . . . 25.0 110.971 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mt -96.16 141.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.19 126.52 46.48 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -120.72 103.58 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.1 m -69.69 148.51 49.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.356 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -85.78 175.05 8.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 104.581 -2.377 . . . . 25.0 104.581 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 118.707 -0.664 . . . . 25.0 109.365 175.436 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -112.6 159.43 18.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.6 0.636 . . . . 25.0 111.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.9 t -108.99 0.96 20.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.499 1.12 . . . . 25.0 108.383 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -70.81 157.26 38.4 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.274 1.213 . . . . 25.0 114.274 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 123.491 1.615 . . . . 25.0 107.224 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 tp -71.1 -31.08 67.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.728 -2.033 . . . . 25.0 108.403 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -85.38 11.41 10.35 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.16 -121.1 6.57 Favored Glycine 0 N--CA 1.442 -0.946 1 N-CA-C 102.824 -4.11 . . . . 25.0 102.824 -171.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.12 158.89 0.32 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 123.125 1.441 . . . . 25.0 114.57 178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.24 15.04 22.72 Favored Glycine 0 C--N 1.32 -0.355 0 CA-C-N 112.781 -2.009 . . . . 25.0 110.545 -170.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.95 -37.34 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.775 0.798 . . . . 25.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.53 109.96 8.43 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -61.71 -5.06 1.7 Allowed 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -14.86 48.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.373 0.606 . . . . 25.0 111.611 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.67 65.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.997 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -45.05 94.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.719 0.771 . . . . 25.0 111.246 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.8 99.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.082 -0.963 . . . . 25.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.87 88.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.527 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.0 -36.27 79.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.174 0.511 . . . . 25.0 110.405 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.88 -41.36 59.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.799 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.68 -35.53 72.74 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.796 0.331 . . . . 25.0 110.594 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.99 -11.09 55.85 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -99.46 4.17 46.0 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.006 -0.433 . . . . 25.0 110.4 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.38 11.46 80.38 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.976 -0.631 . . . . 25.0 112.59 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.95 163.79 23.06 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.145 -1.057 . . . . 25.0 108.145 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.81 64.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.277 0.631 . . . . 25.0 112.315 177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.09 -165.02 26.38 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 107.796 -2.121 . . . . 25.0 107.796 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.45 169.18 31.0 Favored Glycine 0 CA--C 1.511 -0.18 0 CA-C-N 118.324 1.062 . . . . 25.0 111.036 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -136.96 161.1 36.96 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.59 135.42 47.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 25.0 111.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -82.35 162.66 22.14 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.54 2.47 5.88 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.781 1.072 . . . . 25.0 115.781 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -109.98 21.53 16.71 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 117.505 0.653 . . . . 25.0 110.758 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.06 28.11 16.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.469 1.108 . . . . 25.0 111.582 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.96 141.21 15.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.86 128.02 52.9 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.26 105.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.8 m -70.92 149.93 46.23 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.628 -1.169 . . . . 25.0 109.948 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -89.15 175.01 7.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.767 -2.308 . . . . 25.0 104.767 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.77 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.602 -0.714 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 t -116.81 158.23 24.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.777 0.717 . . . . 25.0 111.709 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.7 t -108.99 4.76 23.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.505 1.122 . . . . 25.0 108.704 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.07 151.73 39.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 45.36 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 123.633 1.683 . . . . 25.0 106.629 172.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.0 tp -72.54 -30.59 64.58 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 112.568 -2.106 . . . . 25.0 109.271 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.05 11.87 8.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.73 -120.51 6.79 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 104.642 -3.383 . . . . 25.0 104.642 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.88 158.05 0.35 Allowed 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.72 14.97 30.44 Favored Glycine 0 C--N 1.32 -0.332 0 CA-C-N 112.667 -2.061 . . . . 25.0 110.049 -170.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.92 -39.01 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 122.025 0.917 . . . . 25.0 111.038 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.71 115.05 15.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 171.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -61.82 -2.87 0.95 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.773 1.768 . . . . 25.0 115.773 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.09 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.314 0.578 . . . . 25.0 111.379 171.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.3 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.484 -0.78 . . . . 25.0 111.963 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.63 94.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.69 0.757 . . . . 25.0 110.666 177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.61 98.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.048 -0.978 . . . . 25.0 109.517 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.25 87.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.237 -0.892 . . . . 25.0 111.238 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.94 -32.79 73.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.062 0.458 . . . . 25.0 110.695 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.7 m -77.31 -42.79 35.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.205 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.59 -34.58 71.25 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.008 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.14 -13.33 57.86 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.453 0.908 . . . . 25.0 113.453 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -102.17 5.74 40.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.168 -0.333 . . . . 25.0 110.72 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.12 9.23 84.42 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.011 -0.614 . . . . 25.0 112.83 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -78.79 161.6 26.7 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -16.57 63.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.26 -165.02 25.29 Favored Glycine 0 C--O 1.224 -0.52 0 N-CA-C 107.561 -2.215 . . . . 25.0 107.561 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.21 172.05 33.44 Favored Glycine 0 C--O 1.229 -0.156 0 CA-C-N 118.532 1.166 . . . . 25.0 111.611 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -137.08 160.99 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.17 139.66 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.95 162.83 16.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.924 -1.509 . . . . 25.0 106.924 171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -0.78 11.33 Favored Glycine 0 C--O 1.217 -0.964 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -100.15 15.01 28.84 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 117.204 0.502 . . . . 25.0 110.524 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.78 29.56 18.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.382 1.073 . . . . 25.0 111.051 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.5 142.57 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.82 128.34 52.96 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.704 -0.851 . . . . 25.0 108.704 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -116.09 100.96 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 -176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.69 149.68 46.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.716 -1.129 . . . . 25.0 109.458 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 174.89 7.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--O 1.239 0.516 0 CA-C-O 118.712 -0.661 . . . . 25.0 109.7 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -119.5 158.14 26.87 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.695 0.679 . . . . 25.0 112.367 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -108.41 7.3 26.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.651 1.18 . . . . 25.0 108.821 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.46 158.52 29.28 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.259 1.207 . . . . 25.0 114.259 -176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.74 45.52 1.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 123.589 1.662 . . . . 25.0 106.583 173.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.38 -34.9 41.57 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.706 -2.043 . . . . 25.0 111.401 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -89.67 9.47 26.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.98 -125.23 6.56 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 106.463 -2.655 . . . . 25.0 106.463 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.16 160.03 0.25 Allowed 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 115.948 1.833 . . . . 25.0 115.948 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 14.02 14.76 Favored Glycine 0 C--N 1.318 -0.447 0 CA-C-N 112.418 -2.174 . . . . 25.0 110.989 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.11 -37.42 61.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 122.4 1.095 . . . . 25.0 108.974 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -76.95 104.61 7.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.776 -2.305 . . . . 25.0 104.776 167.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -62.71 -2.47 1.15 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.051 1.871 . . . . 25.0 116.051 -173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -16.26 52.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.561 0.696 . . . . 25.0 111.623 172.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.64 -38.07 69.04 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.18 -0.918 . . . . 25.0 112.878 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.73 98.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.876 0.846 . . . . 25.0 111.144 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.97 97.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.669 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.2 87.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.237 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -61.91 -34.55 76.25 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.162 0.506 . . . . 25.0 110.52 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -75.59 -40.45 56.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.043 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.71 -36.5 74.35 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.768 0.318 . . . . 25.0 110.705 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.11 -20.21 65.81 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -87.3 1.64 52.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.016 -0.428 . . . . 25.0 111.159 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 12.9 73.37 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.08 -0.581 . . . . 25.0 112.33 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.77 164.97 18.19 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.1 62.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.726 0.81 . . . . 25.0 112.515 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.0 -165.16 25.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 107.809 -2.117 . . . . 25.0 107.809 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.59 169.41 28.47 Favored Glycine 0 CA--C 1.509 -0.305 0 N-CA-C 110.199 -1.16 . . . . 25.0 110.199 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -136.98 160.94 37.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.47 129.46 55.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.94 0.4 . . . . 25.0 111.277 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -80.04 162.6 24.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 173.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.21 1.68 4.81 Favored Glycine 0 C--O 1.218 -0.849 0 N-CA-C 116.416 1.326 . . . . 25.0 116.416 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.38 22.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 117.682 0.741 . . . . 25.0 110.91 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.21 28.4 17.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.532 1.133 . . . . 25.0 111.352 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.02 138.79 20.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.78 126.48 51.9 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.62 106.56 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.09 150.29 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.2 -1.364 . . . . 25.0 109.681 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -88.72 -179.55 6.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 118.518 -0.753 . . . . 25.0 110.254 174.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.656 -0.688 . . . . 25.0 109.434 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -119.93 157.76 28.1 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.743 0.701 . . . . 25.0 112.447 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.81 8.68 26.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.527 1.131 . . . . 25.0 108.746 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.86 156.53 30.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 46.49 1.68 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.771 1.748 . . . . 25.0 106.615 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 tp -79.21 -34.43 42.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 112.423 -2.171 . . . . 25.0 111.01 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -89.06 9.07 26.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -175.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.68 -124.79 6.41 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.944 -2.462 . . . . 25.0 106.944 -174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.84 160.72 0.42 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 14.65 15.31 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 112.34 -2.209 . . . . 25.0 110.837 -173.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.88 -37.05 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 122.413 1.101 . . . . 25.0 109.254 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -76.04 105.55 7.15 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 104.856 -2.275 . . . . 25.0 104.856 168.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -62.15 -2.05 0.86 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.344 1.979 . . . . 25.0 116.344 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -16.49 55.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.577 0.703 . . . . 25.0 111.584 172.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.25 69.7 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.846 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.21 99.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.939 0.876 . . . . 25.0 111.028 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.11 97.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.778 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.1 86.65 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.009 -0.996 . . . . 25.0 111.088 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -61.85 -34.75 76.53 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.127 0.489 . . . . 25.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.0 -41.12 60.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.887 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.65 -36.55 74.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.884 0.374 . . . . 25.0 110.827 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.0 -20.42 65.89 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -87.69 1.57 53.4 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.069 -0.395 . . . . 25.0 111.171 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.97 12.96 73.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.023 -0.608 . . . . 25.0 112.444 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -85.15 165.03 17.77 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -15.34 60.56 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.67 0.788 . . . . 25.0 112.84 177.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.72 -165.14 25.12 Favored Glycine 0 C--O 1.219 -0.782 0 N-CA-C 107.741 -2.144 . . . . 25.0 107.741 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.66 170.21 29.14 Favored Glycine 0 CA--C 1.51 -0.254 0 CA-C-N 118.167 0.984 . . . . 25.0 110.661 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.04 160.58 38.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.67 130.23 55.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.027 0.441 . . . . 25.0 111.929 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.13 162.9 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.2 0.73 5.83 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 116.629 1.412 . . . . 25.0 116.629 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -110.46 23.1 14.68 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 117.74 0.77 . . . . 25.0 110.895 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.4 28.84 17.06 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.65 1.18 . . . . 25.0 111.318 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mt -94.92 138.5 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.824 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -104.51 126.72 51.86 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.15 -0.932 . . . . 25.0 108.524 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.64 104.74 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.6 m -68.76 150.07 48.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.266 -1.333 . . . . 25.0 109.532 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -88.1 -179.8 6.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.868 -1.901 . . . . 25.0 105.868 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 p30 . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 118.653 -0.689 . . . . 25.0 110.376 175.016 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.682 -0.675 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -115.08 159.68 20.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.553 0.615 . . . . 25.0 111.405 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 t -108.93 1.4 20.71 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.482 1.113 . . . . 25.0 108.506 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -71.57 159.05 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.71 45.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.368 1.556 . . . . 25.0 107.366 171.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.26 -32.18 58.7 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.77 -2.014 . . . . 25.0 108.831 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 m -82.66 8.83 10.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.33 -125.5 8.54 Favored Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 104.161 -3.576 . . . . 25.0 104.161 -173.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.5 161.28 0.33 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 176.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.99 14.94 17.65 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-N 112.62 -2.082 . . . . 25.0 111.082 -170.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.09 -36.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.839 0.828 . . . . 25.0 111.534 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.76 107.17 5.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 168.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -60.53 -3.71 0.74 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -14.78 43.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.471 0.653 . . . . 25.0 111.37 171.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.617 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -44.45 94.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.838 0.828 . . . . 25.0 111.069 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.78 97.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.876 -1.056 . . . . 25.0 109.504 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.19 88.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.318 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -61.93 -34.2 75.65 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 25.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -76.2 -40.32 52.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.142 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.72 -36.07 73.68 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.775 0.322 . . . . 25.0 110.713 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.0 -20.15 65.69 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -88.07 2.04 52.86 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.973 -0.455 . . . . 25.0 111.154 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.58 12.87 74.3 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.157 -0.544 . . . . 25.0 112.403 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -84.09 164.96 18.9 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -18.22 63.41 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.712 0.805 . . . . 25.0 112.343 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.92 -164.96 26.03 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.25 169.49 27.55 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.94 160.8 37.83 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.9 129.59 55.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.048 0.451 . . . . 25.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.15 162.73 26.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.12 2.39 4.04 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 116.692 1.437 . . . . 25.0 116.692 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -113.69 24.66 11.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 117.727 0.763 . . . . 25.0 111.11 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.39 28.98 17.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.575 1.15 . . . . 25.0 111.382 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -95.0 138.94 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.03 126.84 52.5 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.007 -0.997 . . . . 25.0 108.341 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.19 107.6 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.1 m -69.25 150.89 46.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.171 -1.377 . . . . 25.0 110.274 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -89.57 -180.0 5.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 p30 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 118.567 -0.73 . . . . 25.0 110.213 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 118.531 -0.747 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -117.98 156.7 28.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.741 0.7 . . . . 25.0 112.474 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 t -108.67 7.84 26.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.455 1.102 . . . . 25.0 108.856 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.78 158.14 25.7 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.19 45.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 123.581 1.658 . . . . 25.0 107.082 171.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.36 -34.58 55.02 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 112.476 -2.147 . . . . 25.0 110.738 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -88.03 9.27 22.99 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.08 -125.02 7.37 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 105.664 -2.974 . . . . 25.0 105.664 -174.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.57 160.68 0.26 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 115.994 1.85 . . . . 25.0 115.994 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.6 13.99 19.0 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 112.373 -2.194 . . . . 25.0 110.628 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.56 -35.85 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 122.321 1.058 . . . . 25.0 108.706 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.12 101.28 4.51 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.463 -2.421 . . . . 25.0 104.463 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.88 2.15 0.55 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 116.386 1.995 . . . . 25.0 116.386 -172.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -16.23 54.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 25.0 111.339 171.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.32 70.64 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.229 -0.896 . . . . 25.0 112.982 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -43.47 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.939 0.876 . . . . 25.0 110.987 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.724 -1.125 . . . . 25.0 109.827 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.08 86.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.222 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -61.61 -34.41 75.59 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.136 0.493 . . . . 25.0 110.477 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.57 -39.89 51.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.333 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.84 -36.18 74.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.893 0.378 . . . . 25.0 110.62 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.89 -20.24 65.68 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -87.82 1.82 52.95 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.039 -0.413 . . . . 25.0 111.154 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.99 12.62 73.73 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.119 -0.562 . . . . 25.0 112.307 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.33 164.9 18.68 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.47 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.704 0.801 . . . . 25.0 112.38 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.13 25.92 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 107.648 -2.181 . . . . 25.0 107.648 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.86 168.74 27.45 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 110.089 -1.204 . . . . 25.0 110.089 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -136.88 160.24 39.47 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.388 -0.968 . . . . 25.0 108.388 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.0 m -108.27 129.44 55.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.943 0.402 . . . . 25.0 111.608 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -79.53 162.64 25.26 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.19 1.91 4.58 Favored Glycine 0 C--O 1.218 -0.891 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -111.66 23.12 14.26 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 117.637 0.719 . . . . 25.0 110.974 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.29 29.07 17.27 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.569 1.147 . . . . 25.0 111.19 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -95.28 139.18 19.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.7 126.5 51.84 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -124.75 107.82 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.06 150.26 47.82 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.086 -1.415 . . . . 25.0 109.816 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -88.26 -179.49 6.15 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.4 p30 . . . . . 0 N--CA 1.44 -0.932 0 CA-C-O 118.579 -0.724 . . . . 25.0 110.247 174.613 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 118.568 -0.729 . . . . 25.0 109.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 157.08 30.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.889 0.768 . . . . 25.0 112.721 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -108.99 8.43 26.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.52 1.128 . . . . 25.0 108.789 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -61.82 155.84 22.11 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.315 1.228 . . . . 25.0 114.315 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.72 45.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 123.452 1.596 . . . . 25.0 106.818 172.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.55 -34.63 63.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.561 -2.109 . . . . 25.0 109.974 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 m -87.46 12.55 11.98 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.09 -121.56 7.25 Favored Glycine 0 N--CA 1.442 -0.904 1 N-CA-C 102.407 -4.277 . . . . 25.0 102.407 -166.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.75 157.04 0.42 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 123.527 1.632 . . . . 25.0 114.765 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.86 -1.8 19.73 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 111.812 -2.449 . . . . 25.0 109.223 -168.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.1 -39.23 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 122.561 1.172 . . . . 25.0 109.044 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.72 101.89 8.68 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 104.464 -2.421 . . . . 25.0 104.464 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -62.65 -4.03 1.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.866 1.802 . . . . 25.0 115.866 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -17.11 59.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.462 0.649 . . . . 25.0 111.727 171.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.28 68.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.549 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.575 0.703 . . . . 25.0 111.006 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.626 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.21 88.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.396 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.55 -37.07 82.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 25.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.76 -42.0 64.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 25.0 110.463 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.52 -36.31 73.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.754 0.312 . . . . 25.0 110.711 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.2 -16.64 64.16 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -92.33 2.75 56.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.914 -0.491 . . . . 25.0 110.724 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.27 79.37 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 121.117 -0.563 . . . . 25.0 112.498 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.81 163.25 23.59 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -5.68 28.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.7 -164.95 24.91 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 108.299 -1.92 . . . . 25.0 108.299 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.99 168.29 35.64 Favored Glycine 0 C--O 1.229 -0.202 0 CA-C-N 118.668 1.234 . . . . 25.0 110.757 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -137.02 160.95 37.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 117.91 0.855 . . . . 25.0 109.362 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.9 m -106.21 132.73 51.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -79.3 161.58 26.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 1.01 7.92 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -107.27 20.26 19.2 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 117.298 0.549 . . . . 25.0 110.659 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.58 28.0 16.46 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.711 1.205 . . . . 25.0 111.651 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.12 139.87 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.92 128.41 53.16 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.86 104.63 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.39 151.08 45.6 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.592 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -83.18 174.99 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 118.658 -0.687 . . . . 25.0 109.373 173.59 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.962 -0.542 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -113.47 147.88 37.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.282 0.492 . . . . 25.0 111.799 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.9 t -109.12 1.61 20.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.04 0.936 . . . . 25.0 109.27 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -68.46 155.23 40.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.87 45.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 123.615 1.674 . . . . 25.0 107.169 173.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.89 -32.43 45.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.164 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 m -83.17 11.7 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.291 1.219 . . . . 25.0 114.291 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.82 -120.13 6.08 Favored Glycine 0 N--CA 1.439 -1.102 1 N-CA-C 102.797 -4.121 . . . . 25.0 102.797 -169.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.98 158.27 0.34 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 123.544 1.64 . . . . 25.0 114.715 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.82 11.22 25.12 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 112.067 -2.333 . . . . 25.0 110.482 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.24 -39.22 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.937 0.875 . . . . 25.0 109.418 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -77.98 103.65 8.05 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 104.033 -2.58 . . . . 25.0 104.033 166.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -64.71 3.17 0.55 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.075 1.88 . . . . 25.0 116.075 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -15.43 56.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.534 0.683 . . . . 25.0 111.032 170.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.02 65.84 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.421 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.19 94.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.737 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.51 96.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.004 -0.998 . . . . 25.0 109.515 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.89 85.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.397 -0.82 . . . . 25.0 111.318 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -61.72 -31.48 71.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.038 0.447 . . . . 25.0 110.8 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -80.13 -41.25 25.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.57 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.49 -34.82 71.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.495 -0.321 . . . . 25.0 110.561 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.92 -9.39 29.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.49 7.46 30.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 122.144 -0.347 . . . . 25.0 110.631 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 7.48 86.81 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.03 -0.605 . . . . 25.0 112.848 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.58 161.56 26.91 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -18.06 65.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.77 -165.05 25.97 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.446 -2.261 . . . . 25.0 107.446 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.0 174.06 31.82 Favored Glycine 0 C--O 1.23 -0.103 0 CA-C-N 118.449 1.125 . . . . 25.0 111.449 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -137.06 160.92 37.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.7 m -104.03 137.49 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.897 0.38 . . . . 25.0 111.682 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -92.14 163.19 14.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.0 2.56 3.77 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 117.766 1.866 . . . . 25.0 117.766 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -110.77 23.51 14.09 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 117.995 0.898 . . . . 25.0 110.233 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.13 28.32 18.0 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.536 1.134 . . . . 25.0 111.24 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mt -93.85 138.71 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 106.476 -1.676 . . . . 25.0 106.476 175.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.92 126.98 52.56 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.78 104.72 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -69.6 150.92 46.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.991 -1.459 . . . . 25.0 110.489 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.2 mtt85 -92.35 175.09 6.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 173.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.673 -0.68 . . . . 25.0 109.488 176.372 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.512 -0.756 . . . . 25.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -113.54 158.27 20.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.707 0.685 . . . . 25.0 111.088 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -108.59 0.76 20.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.257 1.023 . . . . 25.0 108.706 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -74.8 160.91 30.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 45.08 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 123.245 1.498 . . . . 25.0 107.596 171.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.51 -33.05 42.44 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.862 -1.972 . . . . 25.0 109.502 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.5 m -86.99 9.32 19.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.932 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.01 -125.62 7.97 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 104.432 -3.467 . . . . 25.0 104.432 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.97 161.88 0.33 Allowed 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 123.276 1.512 . . . . 25.0 114.996 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 14.94 10.99 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 112.493 -2.14 . . . . 25.0 111.551 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.63 -36.1 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.93 0.871 . . . . 25.0 109.941 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -76.41 101.79 5.7 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 165.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -62.76 -1.45 0.87 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.992 1.849 . . . . 25.0 115.992 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -15.39 44.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.591 0.71 . . . . 25.0 111.222 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.83 62.67 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.982 -1.008 . . . . 25.0 112.918 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.08 94.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.936 0.874 . . . . 25.0 111.405 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.1 98.49 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.706 -1.134 . . . . 25.0 109.493 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.06 87.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.507 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -61.7 -34.6 76.06 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.187 0.518 . . . . 25.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.42 -39.88 52.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.899 -0.592 . . . . 25.0 111.252 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.89 -36.05 74.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.793 0.33 . . . . 25.0 110.565 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.54 -20.55 66.29 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.977 0.732 . . . . 25.0 112.977 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -87.5 1.39 53.65 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.01 -0.431 . . . . 25.0 110.917 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.39 10.93 76.33 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.187 -0.53 . . . . 25.0 112.737 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -81.58 164.76 21.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.6 -17.33 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -165.14 26.73 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.17 168.03 30.14 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 109.41 -1.476 . . . . 25.0 109.41 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -137.03 160.91 37.52 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.02 129.73 54.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.937 0.399 . . . . 25.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -80.06 162.69 24.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.297 -1.371 . . . . 25.0 107.297 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 3.21 4.13 Favored Glycine 0 C--O 1.219 -0.804 0 N-CA-C 116.19 1.236 . . . . 25.0 116.19 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -111.21 22.11 15.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 117.529 0.664 . . . . 25.0 111.011 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.02 28.27 17.12 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.444 1.098 . . . . 25.0 111.429 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.18 138.87 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.613 -1.625 . . . . 25.0 106.613 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.43 126.44 51.53 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.835 -1.075 . . . . 25.0 108.14 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.29 105.71 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.46 150.29 47.37 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.288 -1.324 . . . . 25.0 110.102 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 -179.77 6.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 172.595 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 118.749 -0.643 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.49 158.18 24.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.697 0.68 . . . . 25.0 111.235 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -108.92 0.56 20.22 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.464 1.106 . . . . 25.0 108.562 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -66.3 158.36 29.27 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 45.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 123.618 1.675 . . . . 25.0 106.961 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.6 tp -71.53 -31.76 67.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.633 -2.076 . . . . 25.0 109.109 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 11.86 10.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.89 -121.18 6.82 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 103.261 -3.935 . . . . 25.0 103.261 -170.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.96 158.29 0.34 Allowed 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 123.31 1.528 . . . . 25.0 114.832 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.6 14.97 26.14 Favored Glycine 0 C--O 1.226 -0.346 0 CA-C-N 112.461 -2.154 . . . . 25.0 110.021 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.41 -36.38 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 122.293 1.044 . . . . 25.0 110.491 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.57 109.34 11.44 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.882 -2.266 . . . . 25.0 104.882 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -60.92 -5.15 1.22 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -173.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.36 48.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.481 0.658 . . . . 25.0 111.69 172.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.28 -32.59 64.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.241 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -45.02 93.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.753 0.787 . . . . 25.0 110.864 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.96 97.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.404 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.47 87.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.497 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -61.53 -32.36 72.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.074 0.464 . . . . 25.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -79.32 -40.87 29.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.771 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.61 -34.9 71.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.81 0.338 . . . . 25.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.15 -8.84 26.38 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -105.31 6.6 32.89 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.104 -0.373 . . . . 25.0 110.531 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.18 8.05 85.99 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.021 -0.609 . . . . 25.0 112.71 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -78.76 161.91 26.51 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -17.07 64.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.73 -164.93 26.29 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 107.813 -2.115 . . . . 25.0 107.813 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.4 170.97 31.0 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 118.371 1.086 . . . . 25.0 111.306 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -137.04 160.98 37.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.55 136.5 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 25.0 112.092 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.73 162.71 22.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.14 1.28 6.54 Favored Glycine 0 C--O 1.22 -0.761 0 N-CA-C 115.914 1.126 . . . . 25.0 115.914 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.06 23.57 13.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 117.562 0.681 . . . . 25.0 110.988 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.73 27.79 16.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.632 1.173 . . . . 25.0 112.011 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 106.53 -1.656 . . . . 25.0 106.53 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -105.06 128.55 53.38 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.67 106.04 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.58 150.83 45.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -91.0 175.08 7.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 p30 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.525 175.781 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 118.59 -0.719 . . . . 25.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -115.26 158.03 22.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.729 0.695 . . . . 25.0 111.576 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 t -108.48 2.46 22.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.621 1.168 . . . . 25.0 108.952 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.15 160.44 31.21 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 46.32 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.713 1.72 . . . . 25.0 106.965 172.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.5 tp -80.05 -34.64 38.03 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.59 -2.096 . . . . 25.0 109.692 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.48 9.25 16.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -125.06 7.18 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 105.596 -3.001 . . . . 25.0 105.596 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.41 161.7 0.43 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.09 1.515 . . . . 25.0 115.09 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.64 14.86 11.86 Favored Glycine 0 C--N 1.318 -0.44 0 CA-C-N 112.418 -2.174 . . . . 25.0 111.528 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.69 -38.23 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 122.074 0.94 . . . . 25.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.84 105.75 8.09 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 105.051 -2.203 . . . . 25.0 105.051 167.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -62.11 -3.37 1.24 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.816 1.784 . . . . 25.0 115.816 -173.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -15.54 47.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.67 0.748 . . . . 25.0 111.521 171.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.11 65.26 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.154 -0.93 . . . . 25.0 112.719 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.51 95.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.903 0.859 . . . . 25.0 111.206 177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.11 98.04 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.535 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.02 87.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.908 -1.042 . . . . 25.0 111.434 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -61.77 -34.28 75.6 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.172 0.511 . . . . 25.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -76.5 -40.31 50.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.09 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.72 -36.22 73.94 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.784 0.326 . . . . 25.0 110.702 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -64.0 -20.21 65.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -88.14 1.83 53.47 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 122.045 -0.41 . . . . 25.0 111.091 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.86 12.85 73.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.327 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -84.2 164.9 18.82 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.81 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.531 0.732 . . . . 25.0 112.493 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.05 25.93 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.04 27.85 Favored Glycine 0 CA--C 1.508 -0.346 0 N-CA-C 110.039 -1.224 . . . . 25.0 110.039 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.64 160.74 37.89 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.59 129.64 55.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 25.0 111.498 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.49 162.33 26.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.69 2.56 4.5 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 116.365 1.306 . . . . 25.0 116.365 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -111.88 23.16 14.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 117.592 0.696 . . . . 25.0 110.948 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.48 28.59 16.84 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.529 1.131 . . . . 25.0 111.305 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mt -95.04 139.13 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.801 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.78 126.76 52.18 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.89 107.38 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.08 150.75 47.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.223 -1.353 . . . . 25.0 110.075 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -89.52 -179.71 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 p30 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.333 174.699 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -119.1 161.31 20.51 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.598 0.635 . . . . 25.0 111.258 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 t -106.98 -0.9 22.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.556 1.143 . . . . 25.0 108.239 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.25 154.4 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 44.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.505 1.621 . . . . 25.0 106.776 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -71.41 -29.5 64.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.739 -2.028 . . . . 25.0 108.857 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -83.74 11.4 7.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.25 -120.07 6.49 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 104.308 -3.517 . . . . 25.0 104.308 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.0 159.59 0.25 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 123.199 1.476 . . . . 25.0 114.363 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.05 15.07 27.11 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 112.752 -2.022 . . . . 25.0 110.498 -170.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.47 -36.8 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.915 0.864 . . . . 25.0 111.672 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.11 112.87 10.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -59.09 -7.95 1.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -13.77 35.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.226 0.536 . . . . 25.0 111.736 171.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.29 64.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.455 0.702 . . . . 25.0 112.008 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.52 91.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.737 0.779 . . . . 25.0 110.714 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.35 99.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 25.0 109.357 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.09 89.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.38 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -61.83 -36.03 79.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.976 0.417 . . . . 25.0 110.026 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.91 -42.03 63.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.623 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.06 -35.4 73.29 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.791 0.329 . . . . 25.0 110.616 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.61 -8.31 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -107.32 7.63 29.32 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.16 -0.337 . . . . 25.0 110.341 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.36 7.35 86.67 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.028 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.01 161.47 26.59 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.54 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.82 -165.01 25.18 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 107.27 -2.332 . . . . 25.0 107.27 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.05 173.47 34.0 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 118.706 1.253 . . . . 25.0 111.645 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -137.03 161.05 37.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.6 m -102.28 135.11 44.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 25.0 111.553 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -81.37 163.35 22.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.03 1.4 6.15 Favored Glycine 0 C--O 1.219 -0.827 0 N-CA-C 115.843 1.097 . . . . 25.0 115.843 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -111.86 22.57 14.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 117.523 0.662 . . . . 25.0 110.98 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.45 25.69 15.31 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.838 1.255 . . . . 25.0 112.266 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.1 141.33 14.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.99 128.58 53.35 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.5 104.39 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -71.7 151.01 43.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.403 -1.271 . . . . 25.0 110.135 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.5 mtt85 -86.04 175.03 8.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 174.836 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.938 -0.554 . . . . 25.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -117.88 163.01 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.251 0.478 . . . . 25.0 112.09 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 t -109.01 3.08 21.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.619 1.168 . . . . 25.0 108.392 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -64.06 155.43 31.32 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.97 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -69.56 -31.99 70.5 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 112.56 -2.109 . . . . 25.0 109.248 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -83.81 11.41 7.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 115.283 1.586 . . . . 25.0 115.283 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.25 -121.09 6.71 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 103.292 -3.923 . . . . 25.0 103.292 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -49.04 158.57 0.33 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 123.162 1.458 . . . . 25.0 114.672 178.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 14.87 25.71 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 112.62 -2.082 . . . . 25.0 109.783 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -56.13 -35.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.927 0.87 . . . . 25.0 110.746 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -72.42 109.94 6.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.421 -2.066 . . . . 25.0 105.421 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.76 -7.05 2.04 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.941 1.46 . . . . 25.0 114.941 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.83 -13.7 36.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.17 0.51 . . . . 25.0 111.889 171.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.08 67.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.417 0.687 . . . . 25.0 111.648 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -45.12 93.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.768 0.794 . . . . 25.0 111.061 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.55 99.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.566 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.93 88.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.411 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.86 -36.31 80.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 25.0 110.4 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.95 -41.49 64.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.575 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -58.63 -36.32 73.89 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.857 0.36 . . . . 25.0 110.544 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.68 -14.22 62.22 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -94.97 2.96 55.43 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.491 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.56 77.66 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 121.099 -0.572 . . . . 25.0 112.515 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -81.67 164.32 21.89 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -17.53 64.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.179 0.592 . . . . 25.0 112.292 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.34 -164.97 26.48 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.911 -2.075 . . . . 25.0 107.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.56 170.46 32.34 Favored Glycine 0 CA--C 1.512 -0.109 0 CA-C-N 118.452 1.126 . . . . 25.0 111.383 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -137.01 160.91 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -102.72 136.78 41.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.798 0.333 . . . . 25.0 111.247 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.65 163.23 18.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.41 3.53 4.53 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 115.99 1.156 . . . . 25.0 115.99 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.23 18.86 20.61 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 117.338 0.569 . . . . 25.0 110.745 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.8 27.61 16.88 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.508 1.123 . . . . 25.0 111.445 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.98 142.12 14.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.558 -1.645 . . . . 25.0 106.558 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -103.7 128.9 50.99 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -121.86 104.11 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.14 150.44 45.42 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.725 -1.125 . . . . 25.0 109.948 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 175.02 7.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.729 -0.653 . . . . 25.0 109.437 176.619 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.917 -0.563 . . . . 25.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -115.39 159.28 21.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.225 0.536 . . . . 25.0 112.263 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 t -108.95 0.52 20.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.653 1.181 . . . . 25.0 108.521 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.46 155.19 29.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 45.19 1.0 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 123.505 1.621 . . . . 25.0 107.365 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -75.23 -33.62 61.36 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 112.904 -1.953 . . . . 25.0 109.302 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -86.86 11.56 13.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.589 -1.187 . . . . 25.0 114.203 -175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.37 -121.26 6.52 Favored Glycine 0 N--CA 1.441 -1.01 1 N-CA-C 101.63 -4.588 . . . . 25.0 101.63 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.11 158.19 0.38 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 123.612 1.672 . . . . 25.0 114.532 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.39 3.23 24.24 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 111.907 -2.406 . . . . 25.0 109.105 -168.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.13 -38.1 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.167 0.984 . . . . 25.0 109.107 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.38 99.44 5.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 167.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -62.22 -4.43 1.75 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.507 1.669 . . . . 25.0 115.507 -173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -16.09 55.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.268 0.556 . . . . 25.0 111.879 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -37.78 72.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.022 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -44.24 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.757 0.789 . . . . 25.0 111.043 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.1 99.05 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.017 -0.992 . . . . 25.0 109.792 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.79 88.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.248 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -62.39 -30.41 71.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.982 0.42 . . . . 25.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.0 m -80.65 -40.07 26.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.937 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.91 -34.62 71.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.714 0.292 . . . . 25.0 110.331 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.56 -9.04 23.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -105.16 6.39 33.06 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.132 -0.355 . . . . 25.0 110.708 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.96 8.82 85.26 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.997 -0.621 . . . . 25.0 112.758 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.33 161.97 26.82 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -17.19 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.164 0.585 . . . . 25.0 112.247 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.73 -165.03 26.61 Favored Glycine 0 CA--C 1.506 -0.488 0 N-CA-C 107.522 -2.231 . . . . 25.0 107.522 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.97 167.52 28.29 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 110.508 -1.037 . . . . 25.0 110.508 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -137.07 160.93 37.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.46 131.16 53.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.952 0.406 . . . . 25.0 111.192 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.53 163.57 26.18 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.25 -0.48 7.77 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 115.599 0.999 . . . . 25.0 115.599 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -108.21 20.06 19.14 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 117.391 0.596 . . . . 25.0 110.919 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.99 30.38 17.98 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.424 1.09 . . . . 25.0 111.205 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -96.17 140.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 106.517 -1.66 . . . . 25.0 106.517 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -99.98 126.93 46.23 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.26 107.51 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 -175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.89 149.47 47.8 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.592 -1.186 . . . . 25.0 109.93 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -87.54 175.05 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 118.655 -0.688 . . . . 25.0 109.408 175.087 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -115.92 162.54 17.19 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.325 0.511 . . . . 25.0 111.788 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -108.36 0.95 21.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.543 1.137 . . . . 25.0 108.484 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.24 154.04 36.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.76 45.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.639 1.685 . . . . 25.0 107.069 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.2 tp -70.37 -29.45 66.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.674 -2.057 . . . . 25.0 108.358 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -77.96 10.21 3.03 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 116.227 1.936 . . . . 25.0 116.227 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.77 -121.14 6.14 Favored Glycine 0 N--CA 1.439 -1.12 1 N-CA-C 102.996 -4.042 . . . . 25.0 102.996 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.99 157.94 0.37 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-O 123.131 1.443 . . . . 25.0 114.579 178.06 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 15.13 33.06 Favored Glycine 0 C--O 1.222 -0.65 0 CA-C-N 112.808 -1.996 . . . . 25.0 109.915 -168.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -49.79 -37.41 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.005 0.922 . . . . 25.0 113.156 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -76.1 119.14 19.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.433 -1.692 . . . . 25.0 106.433 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -59.06 -6.53 0.86 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -14.03 38.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.157 0.503 . . . . 25.0 111.712 171.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -33.8 66.01 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.402 0.681 . . . . 25.0 111.883 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -45.31 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.815 0.817 . . . . 25.0 110.892 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.4 99.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.98 -1.009 . . . . 25.0 109.394 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.304 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -61.74 -34.14 75.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.141 0.496 . . . . 25.0 110.696 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.2 m -75.91 -42.13 49.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.453 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 mt -58.74 -34.65 71.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.712 0.292 . . . . 25.0 110.603 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.73 -10.21 44.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -102.67 5.82 39.24 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.003 -0.436 . . . . 25.0 110.279 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.35 83.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.031 -0.604 . . . . 25.0 112.727 -176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.35 163.52 24.79 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -17.65 64.65 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.294 0.638 . . . . 25.0 112.527 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.75 -165.02 25.68 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 107.725 -2.15 . . . . 25.0 107.725 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.46 171.3 32.94 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 118.471 1.136 . . . . 25.0 111.532 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.83 161.1 36.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.79 138.17 40.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -85.33 162.96 18.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.52 3.19 4.97 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 116.129 1.212 . . . . 25.0 116.129 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -111.3 22.41 15.2 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 117.562 0.681 . . . . 25.0 110.686 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.96 26.96 16.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.696 1.198 . . . . 25.0 111.761 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.59 141.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.86 129.18 53.24 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.7 t -119.84 102.57 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.79 149.92 44.86 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.727 -1.124 . . . . 25.0 110.226 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -88.69 174.98 7.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.901 -2.259 . . . . 25.0 104.901 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p30 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 118.683 -0.675 . . . . 25.0 109.416 175.064 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -117.53 165.76 13.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 25.0 111.231 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -108.97 0.93 20.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.382 1.073 . . . . 25.0 108.189 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.46 152.85 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.689 -0.687 . . . . 25.0 112.476 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.41 45.07 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.532 1.634 . . . . 25.0 107.214 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -73.17 -29.53 62.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 112.71 -2.041 . . . . 25.0 108.892 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -82.54 11.03 6.15 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.46 -121.42 6.59 Favored Glycine 0 N--CA 1.44 -1.063 1 N-CA-C 102.92 -4.072 . . . . 25.0 102.92 -172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 158.86 0.29 Allowed 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 123.263 1.506 . . . . 25.0 114.268 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 15.1 23.7 Favored Glycine 0 C--N 1.317 -0.511 0 CA-C-N 112.56 -2.109 . . . . 25.0 111.186 -170.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.56 -37.58 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.872 0.844 . . . . 25.0 111.109 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -74.33 115.69 14.13 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -59.95 -5.97 1.16 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -15.09 54.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.277 0.561 . . . . 25.0 111.702 171.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.47 -34.14 68.71 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.062 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.803 0.811 . . . . 25.0 110.312 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.29 99.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.798 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.49 90.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.3 -0.864 . . . . 25.0 111.2 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -63.0 -34.39 77.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 25.0 110.609 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.6 m -73.7 -40.88 63.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.525 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.74 -36.4 74.26 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.76 0.314 . . . . 25.0 110.549 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.21 -19.39 65.95 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -90.03 2.08 55.59 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.981 -0.449 . . . . 25.0 110.814 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.14 12.94 72.55 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.18 -0.533 . . . . 25.0 112.687 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.51 164.95 18.47 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.62 65.46 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.366 0.667 . . . . 25.0 112.465 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.65 -164.98 26.59 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 107.621 -2.192 . . . . 25.0 107.621 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.53 171.83 33.0 Favored Glycine 0 C--O 1.229 -0.159 0 CA-C-N 118.476 1.138 . . . . 25.0 111.375 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -137.08 160.95 37.44 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.04 136.27 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.824 0.345 . . . . 25.0 111.421 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.67 163.41 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.28 3.04 4.74 Favored Glycine 0 C--O 1.218 -0.905 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -109.51 19.39 19.33 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 117.378 0.589 . . . . 25.0 110.738 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.55 27.43 16.23 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.586 1.154 . . . . 25.0 111.874 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 mt -96.64 143.19 12.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.89 130.08 48.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.24 103.62 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.06 150.68 45.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.886 -1.052 . . . . 25.0 110.04 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -90.47 175.04 7.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.239 0.502 0 CA-C-O 118.607 -0.711 . . . . 25.0 110.213 176.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.928 -0.558 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -112.05 159.8 18.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 25.0 112.033 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 t -108.96 2.28 21.25 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.396 1.078 . . . . 25.0 109.246 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -63.63 153.64 35.35 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 45.58 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.631 1.681 . . . . 25.0 106.988 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.42 -31.82 48.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.563 -2.108 . . . . 25.0 109.137 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -87.34 12.48 11.89 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.599 1.333 . . . . 25.0 114.599 -175.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.43 -121.67 7.3 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 104.524 -3.43 . . . . 25.0 104.524 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 9' ' ' THR . 0.3 OUTLIER -48.85 158.58 0.31 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.0 6.73 31.94 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-N 112.233 -2.258 . . . . 25.0 110.311 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.4 -41.73 63.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 122.117 0.96 . . . . 25.0 109.778 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.6 109.24 14.94 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.27 -4.18 1.67 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -14.93 53.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 111.912 172.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -37.0 74.08 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.859 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -44.33 96.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.762 0.791 . . . . 25.0 110.546 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.95 99.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.979 -1.009 . . . . 25.0 109.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.57 87.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.189 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -62.33 -32.42 73.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.986 0.422 . . . . 25.0 110.847 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -78.24 -40.53 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.758 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.77 -34.76 71.81 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.712 0.292 . . . . 25.0 110.419 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.3 mt -66.32 -10.13 39.86 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -102.99 5.23 38.16 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.007 -0.433 . . . . 25.0 110.465 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.9 9.57 82.44 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.774 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -79.25 162.89 25.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -16.92 64.43 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.142 0.577 . . . . 25.0 112.55 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.23 -164.93 26.81 Favored Glycine 0 CA--C 1.507 -0.428 0 N-CA-C 107.457 -2.257 . . . . 25.0 107.457 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 169.25 31.25 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 109.97 -1.252 . . . . 25.0 109.97 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -137.07 160.82 37.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.6 m -106.44 134.17 50.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.19 161.04 27.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.03 0.32 11.77 Favored Glycine 0 C--O 1.218 -0.874 0 N-CA-C 114.287 0.475 . . . . 25.0 114.287 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -104.67 17.97 23.13 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 123.373 0.669 . . . . 25.0 110.585 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.77 28.1 16.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.828 1.251 . . . . 25.0 111.987 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.27 140.99 16.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -101.45 127.2 48.23 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.89 104.32 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.72 150.53 47.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.801 -1.09 . . . . 25.0 110.267 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.34 174.94 7.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.636 -2.357 . . . . 25.0 104.636 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 118.945 -0.55 . . . . 25.0 109.567 176.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -118.19 160.27 21.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.34 0.518 . . . . 25.0 112.263 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.99 1.23 20.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.929 1.292 . . . . 25.0 108.484 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.08 154.72 26.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 45.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.509 1.624 . . . . 25.0 106.783 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.76 -32.67 67.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.469 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -87.33 12.38 12.12 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.814 1.413 . . . . 25.0 114.814 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.95 -121.06 6.79 Favored Glycine 0 N--CA 1.441 -0.978 1 N-CA-C 101.18 -4.768 . . . . 25.0 101.18 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.94 157.89 0.37 Allowed 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 123.526 1.631 . . . . 25.0 114.334 177.445 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.27 4.37 14.04 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 111.934 -2.393 . . . . 25.0 110.212 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.27 -36.85 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 122.351 1.072 . . . . 25.0 108.561 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -75.83 100.03 4.64 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.282 -2.488 . . . . 25.0 104.282 166.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -62.95 -3.35 1.58 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.103 1.52 . . . . 25.0 115.103 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -15.67 48.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.303 0.573 . . . . 25.0 111.653 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.58 67.78 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.555 -0.748 . . . . 25.0 112.067 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.81 92.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.882 0.849 . . . . 25.0 110.485 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.79 98.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.841 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.71 87.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.298 -0.865 . . . . 25.0 111.192 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -62.06 -33.53 74.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.068 0.461 . . . . 25.0 110.566 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -76.75 -41.09 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.637 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.67 -35.53 72.73 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.805 0.336 . . . . 25.0 110.48 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -67.03 -9.66 41.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -102.52 5.39 39.39 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.026 -0.421 . . . . 25.0 110.291 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.98 82.19 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.018 -0.61 . . . . 25.0 112.873 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.76 163.5 23.45 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -17.48 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -164.95 26.22 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 107.488 -2.245 . . . . 25.0 107.488 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.48 171.73 31.67 Favored Glycine 0 N--CA 1.457 0.058 0 CA-C-N 118.434 1.117 . . . . 25.0 111.309 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -137.06 161.06 37.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -104.49 136.61 43.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.07 164.52 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 173.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.88 -0.33 8.67 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -107.56 19.34 20.33 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.497 0.648 . . . . 25.0 110.846 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.48 29.66 18.5 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.209 1.004 . . . . 25.0 110.982 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.94 143.54 11.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.95 129.35 53.37 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.23 104.37 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.23 150.47 46.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.671 -1.15 . . . . 25.0 110.162 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -89.62 174.82 7.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 173.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 118.753 -0.641 . . . . 25.0 109.738 175.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -116.93 157.2 26.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.69 0.677 . . . . 25.0 112.017 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 t -108.92 7.2 25.91 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.384 1.074 . . . . 25.0 108.64 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.5 154.94 27.1 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.799 1.036 . . . . 25.0 113.799 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.48 45.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 171.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.59 -32.82 71.79 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 112.554 -2.112 . . . . 25.0 109.477 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.17 12.09 8.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.36 -120.07 6.39 Favored Glycine 0 N--CA 1.442 -0.902 1 N-CA-C 102.76 -4.136 . . . . 25.0 102.76 -169.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.92 159.04 0.28 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 123.459 1.599 . . . . 25.0 114.613 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.13 10.97 28.86 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 112.241 -2.254 . . . . 25.0 109.684 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.12 -36.66 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-O 122.307 1.051 . . . . 25.0 108.866 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -77.42 104.91 8.22 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.592 -2.373 . . . . 25.0 104.592 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -62.53 -1.14 0.72 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -15.25 52.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 25.0 111.623 172.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.99 69.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.534 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.96 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.591 0.71 . . . . 25.0 111.008 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.42 97.96 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.542 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.93 88.28 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.133 -0.94 . . . . 25.0 111.427 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -61.93 -35.02 77.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 120.978 0.418 . . . . 25.0 110.627 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -74.02 -42.11 60.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.145 -0.479 . . . . 25.0 110.497 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.8 -35.57 73.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.773 0.321 . . . . 25.0 110.735 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.63 -10.43 45.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -100.61 4.81 43.64 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.086 -0.384 . . . . 25.0 110.549 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.31 82.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.006 -0.616 . . . . 25.0 112.514 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -79.68 162.66 25.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -14.94 61.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.351 0.661 . . . . 25.0 112.627 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.03 25.55 Favored Glycine 0 C--O 1.222 -0.653 0 N-CA-C 107.882 -2.087 . . . . 25.0 107.882 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.61 168.74 30.46 Favored Glycine 0 CA--C 1.51 -0.242 0 CA-C-N 118.214 1.007 . . . . 25.0 110.624 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -136.92 160.83 37.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.2 m -106.76 134.32 50.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.898 0.38 . . . . 25.0 111.791 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -82.2 161.98 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.73 4.03 4.52 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.861 1.104 . . . . 25.0 115.861 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -112.34 23.16 13.94 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 117.521 0.66 . . . . 25.0 110.892 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.53 27.06 16.06 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.718 1.207 . . . . 25.0 111.952 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -95.99 139.64 18.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -105.03 127.83 53.05 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.53 104.26 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 107.147 -1.427 . . . . 25.0 107.147 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.5 m -70.26 149.14 47.75 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.568 -1.196 . . . . 25.0 109.239 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -87.06 175.07 8.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 104.898 -2.26 . . . . 25.0 104.898 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 p30 . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 118.691 -0.671 . . . . 25.0 109.48 175.105 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.786 -0.626 . . . . 25.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 t -117.49 156.07 28.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.0 5.22 24.02 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.613 1.165 . . . . 25.0 109.314 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.65 156.76 22.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.06 44.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 123.512 1.625 . . . . 25.0 107.596 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.45 -30.43 37.56 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 112.755 -2.021 . . . . 25.0 109.764 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -93.54 13.03 23.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.746 -1.115 . . . . 25.0 113.8 -175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.01 -121.52 7.26 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 102.234 -4.346 . . . . 25.0 102.234 -167.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.42 155.6 0.73 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.577 1.656 . . . . 25.0 114.791 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.55 -12.01 6.67 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 111.68 -2.509 . . . . 25.0 108.882 -169.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -54.91 -42.27 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 122.345 1.069 . . . . 25.0 109.377 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -77.43 97.78 5.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 167.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -61.99 -7.89 4.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -18.29 61.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.318 0.58 . . . . 25.0 112.289 172.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.9 78.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.49 98.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.641 0.734 . . . . 25.0 110.635 177.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.36 99.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.222 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.32 88.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.979 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -63.16 -31.54 72.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.89 0.376 . . . . 25.0 111.123 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.3 -40.86 50.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.725 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.81 -35.15 72.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.73 0.3 . . . . 25.0 110.498 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.18 -9.04 28.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -103.63 5.77 36.69 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.06 -0.4 . . . . 25.0 110.722 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.99 7.7 85.09 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.68 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.86 161.63 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -14.48 61.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.13 -164.98 26.09 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 107.782 -2.127 . . . . 25.0 107.782 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.11 167.81 30.1 Favored Glycine 0 C--N 1.323 -0.154 0 CA-C-N 118.467 1.133 . . . . 25.0 111.292 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -137.05 160.93 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m -105.92 133.21 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -81.32 163.34 22.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.71 1.44 5.66 Favored Glycine 0 C--O 1.217 -0.912 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -109.27 20.89 17.78 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.559 0.68 . . . . 25.0 110.614 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.63 30.04 18.43 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.434 1.094 . . . . 25.0 110.971 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mt -96.16 141.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.19 126.52 46.48 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -120.72 103.58 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.1 m -69.69 148.51 49.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.356 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -85.78 175.05 8.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 104.581 -2.377 . . . . 25.0 104.581 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 118.707 -0.664 . . . . 25.0 109.365 175.436 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -112.6 159.43 18.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.6 0.636 . . . . 25.0 111.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.9 t -108.99 0.96 20.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.499 1.12 . . . . 25.0 108.383 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -70.81 157.26 38.4 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.274 1.213 . . . . 25.0 114.274 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 123.491 1.615 . . . . 25.0 107.224 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 tp -71.1 -31.08 67.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.728 -2.033 . . . . 25.0 108.403 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -85.38 11.41 10.35 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.16 -121.1 6.57 Favored Glycine 0 N--CA 1.442 -0.946 1 N-CA-C 102.824 -4.11 . . . . 25.0 102.824 -171.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -49.12 158.89 0.32 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 123.125 1.441 . . . . 25.0 114.57 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.24 15.04 22.72 Favored Glycine 0 C--N 1.32 -0.355 0 CA-C-N 112.781 -2.009 . . . . 25.0 110.545 -170.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.95 -37.34 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.775 0.798 . . . . 25.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.53 109.96 8.43 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -61.71 -5.06 1.7 Allowed 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -14.86 48.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.373 0.606 . . . . 25.0 111.611 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.67 65.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.997 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -45.05 94.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.719 0.771 . . . . 25.0 111.246 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.8 99.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.082 -0.963 . . . . 25.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.87 88.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.527 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.0 -36.27 79.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.174 0.511 . . . . 25.0 110.405 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.88 -41.36 59.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.799 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.68 -35.53 72.74 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.796 0.331 . . . . 25.0 110.594 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.99 -11.09 55.85 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -99.46 4.17 46.0 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.006 -0.433 . . . . 25.0 110.4 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.38 11.46 80.38 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.976 -0.631 . . . . 25.0 112.59 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.95 163.79 23.06 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.145 -1.057 . . . . 25.0 108.145 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.81 64.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.277 0.631 . . . . 25.0 112.315 177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.09 -165.02 26.38 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 107.796 -2.121 . . . . 25.0 107.796 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.45 169.18 31.0 Favored Glycine 0 CA--C 1.511 -0.18 0 CA-C-N 118.324 1.062 . . . . 25.0 111.036 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -136.96 161.1 36.96 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.59 135.42 47.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 25.0 111.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -82.35 162.66 22.14 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.54 2.47 5.88 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.781 1.072 . . . . 25.0 115.781 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -109.98 21.53 16.71 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 117.505 0.653 . . . . 25.0 110.758 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.06 28.11 16.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.469 1.108 . . . . 25.0 111.582 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.96 141.21 15.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.86 128.02 52.9 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.26 105.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.8 m -70.92 149.93 46.23 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.628 -1.169 . . . . 25.0 109.948 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -89.15 175.01 7.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.767 -2.308 . . . . 25.0 104.767 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.77 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.602 -0.714 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 t -116.81 158.23 24.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.777 0.717 . . . . 25.0 111.709 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.7 t -108.99 4.76 23.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.505 1.122 . . . . 25.0 108.704 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.07 151.73 39.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 45.36 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 123.633 1.683 . . . . 25.0 106.629 172.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.0 tp -72.54 -30.59 64.58 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 112.568 -2.106 . . . . 25.0 109.271 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.05 11.87 8.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.73 -120.51 6.79 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 104.642 -3.383 . . . . 25.0 104.642 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -48.88 158.05 0.35 Allowed 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.72 14.97 30.44 Favored Glycine 0 C--N 1.32 -0.332 0 CA-C-N 112.667 -2.061 . . . . 25.0 110.049 -170.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.92 -39.01 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 122.025 0.917 . . . . 25.0 111.038 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.71 115.05 15.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 171.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -61.82 -2.87 0.95 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.773 1.768 . . . . 25.0 115.773 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.09 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.314 0.578 . . . . 25.0 111.379 171.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.3 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.484 -0.78 . . . . 25.0 111.963 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.63 94.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.69 0.757 . . . . 25.0 110.666 177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.61 98.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.048 -0.978 . . . . 25.0 109.517 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.25 87.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.237 -0.892 . . . . 25.0 111.238 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.94 -32.79 73.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.062 0.458 . . . . 25.0 110.695 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.7 m -77.31 -42.79 35.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.205 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.59 -34.58 71.25 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.008 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.14 -13.33 57.86 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.453 0.908 . . . . 25.0 113.453 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -102.17 5.74 40.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.168 -0.333 . . . . 25.0 110.72 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.12 9.23 84.42 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.011 -0.614 . . . . 25.0 112.83 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -78.79 161.6 26.7 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -16.57 63.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.26 -165.02 25.29 Favored Glycine 0 C--O 1.224 -0.52 0 N-CA-C 107.561 -2.215 . . . . 25.0 107.561 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.21 172.05 33.44 Favored Glycine 0 C--O 1.229 -0.156 0 CA-C-N 118.532 1.166 . . . . 25.0 111.611 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -137.08 160.99 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.17 139.66 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.95 162.83 16.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.924 -1.509 . . . . 25.0 106.924 171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -0.78 11.33 Favored Glycine 0 C--O 1.217 -0.964 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -100.15 15.01 28.84 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 117.204 0.502 . . . . 25.0 110.524 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.78 29.56 18.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.382 1.073 . . . . 25.0 111.051 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.5 142.57 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.82 128.34 52.96 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.704 -0.851 . . . . 25.0 108.704 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -116.09 100.96 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 -176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.69 149.68 46.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.716 -1.129 . . . . 25.0 109.458 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 174.89 7.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--O 1.239 0.516 0 CA-C-O 118.712 -0.661 . . . . 25.0 109.7 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -119.5 158.14 26.87 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.695 0.679 . . . . 25.0 112.367 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -108.41 7.3 26.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.651 1.18 . . . . 25.0 108.821 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.46 158.52 29.28 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.259 1.207 . . . . 25.0 114.259 -176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.74 45.52 1.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 123.589 1.662 . . . . 25.0 106.583 173.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.38 -34.9 41.57 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.706 -2.043 . . . . 25.0 111.401 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -89.67 9.47 26.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.98 -125.23 6.56 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 106.463 -2.655 . . . . 25.0 106.463 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.16 160.03 0.25 Allowed 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 115.948 1.833 . . . . 25.0 115.948 178.524 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 14.02 14.76 Favored Glycine 0 C--N 1.318 -0.447 0 CA-C-N 112.418 -2.174 . . . . 25.0 110.989 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.11 -37.42 61.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 122.4 1.095 . . . . 25.0 108.974 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -76.95 104.61 7.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.776 -2.305 . . . . 25.0 104.776 167.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -62.71 -2.47 1.15 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.051 1.871 . . . . 25.0 116.051 -173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -16.26 52.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.561 0.696 . . . . 25.0 111.623 172.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.64 -38.07 69.04 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.18 -0.918 . . . . 25.0 112.878 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.73 98.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.876 0.846 . . . . 25.0 111.144 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.97 97.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.669 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.2 87.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.237 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -61.91 -34.55 76.25 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.162 0.506 . . . . 25.0 110.52 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -75.59 -40.45 56.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.043 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.71 -36.5 74.35 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.768 0.318 . . . . 25.0 110.705 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.11 -20.21 65.81 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -87.3 1.64 52.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.016 -0.428 . . . . 25.0 111.159 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 12.9 73.37 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.08 -0.581 . . . . 25.0 112.33 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.77 164.97 18.19 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.1 62.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.726 0.81 . . . . 25.0 112.515 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.0 -165.16 25.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 107.809 -2.117 . . . . 25.0 107.809 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.59 169.41 28.47 Favored Glycine 0 CA--C 1.509 -0.305 0 N-CA-C 110.199 -1.16 . . . . 25.0 110.199 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -136.98 160.94 37.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.47 129.46 55.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.94 0.4 . . . . 25.0 111.277 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -80.04 162.6 24.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 173.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.21 1.68 4.81 Favored Glycine 0 C--O 1.218 -0.849 0 N-CA-C 116.416 1.326 . . . . 25.0 116.416 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.38 22.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 117.682 0.741 . . . . 25.0 110.91 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.21 28.4 17.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.532 1.133 . . . . 25.0 111.352 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.02 138.79 20.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.78 126.48 51.9 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.62 106.56 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.09 150.29 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.2 -1.364 . . . . 25.0 109.681 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -88.72 -179.55 6.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 118.518 -0.753 . . . . 25.0 110.254 174.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.656 -0.688 . . . . 25.0 109.434 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -119.93 157.76 28.1 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.743 0.701 . . . . 25.0 112.447 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.81 8.68 26.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.527 1.131 . . . . 25.0 108.746 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.86 156.53 30.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 46.49 1.68 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.771 1.748 . . . . 25.0 106.615 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 tp -79.21 -34.43 42.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 112.423 -2.171 . . . . 25.0 111.01 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -89.06 9.07 26.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -175.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.68 -124.79 6.41 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.944 -2.462 . . . . 25.0 106.944 -174.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.84 160.72 0.42 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 14.65 15.31 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 112.34 -2.209 . . . . 25.0 110.837 -173.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.88 -37.05 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 122.413 1.101 . . . . 25.0 109.254 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -76.04 105.55 7.15 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 104.856 -2.275 . . . . 25.0 104.856 168.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -62.15 -2.05 0.86 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.344 1.979 . . . . 25.0 116.344 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -16.49 55.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.577 0.703 . . . . 25.0 111.584 172.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.25 69.7 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.846 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.21 99.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.939 0.876 . . . . 25.0 111.028 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.11 97.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.778 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.1 86.65 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.009 -0.996 . . . . 25.0 111.088 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -61.85 -34.75 76.53 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.127 0.489 . . . . 25.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.0 -41.12 60.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.887 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.65 -36.55 74.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.884 0.374 . . . . 25.0 110.827 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.0 -20.42 65.89 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -87.69 1.57 53.4 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.069 -0.395 . . . . 25.0 111.171 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.97 12.96 73.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.023 -0.608 . . . . 25.0 112.444 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -85.15 165.03 17.77 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -15.34 60.56 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.67 0.788 . . . . 25.0 112.84 177.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.72 -165.14 25.12 Favored Glycine 0 C--O 1.219 -0.782 0 N-CA-C 107.741 -2.144 . . . . 25.0 107.741 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.66 170.21 29.14 Favored Glycine 0 CA--C 1.51 -0.254 0 CA-C-N 118.167 0.984 . . . . 25.0 110.661 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.04 160.58 38.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.67 130.23 55.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.027 0.441 . . . . 25.0 111.929 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.13 162.9 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.2 0.73 5.83 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 116.629 1.412 . . . . 25.0 116.629 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -110.46 23.1 14.68 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 117.74 0.77 . . . . 25.0 110.895 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.4 28.84 17.06 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.65 1.18 . . . . 25.0 111.318 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mt -94.92 138.5 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.824 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -104.51 126.72 51.86 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.15 -0.932 . . . . 25.0 108.524 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.64 104.74 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.6 m -68.76 150.07 48.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.266 -1.333 . . . . 25.0 109.532 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -88.1 -179.8 6.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.868 -1.901 . . . . 25.0 105.868 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 p30 . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 118.653 -0.689 . . . . 25.0 110.376 175.016 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.682 -0.675 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -115.08 159.68 20.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.553 0.615 . . . . 25.0 111.405 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 t -108.93 1.4 20.71 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.482 1.113 . . . . 25.0 108.506 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -71.57 159.05 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.71 45.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.368 1.556 . . . . 25.0 107.366 171.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.26 -32.18 58.7 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.77 -2.014 . . . . 25.0 108.831 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 m -82.66 8.83 10.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.33 -125.5 8.54 Favored Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 104.161 -3.576 . . . . 25.0 104.161 -173.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.5 161.28 0.33 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 176.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.99 14.94 17.65 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-N 112.62 -2.082 . . . . 25.0 111.082 -170.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.09 -36.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.839 0.828 . . . . 25.0 111.534 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.76 107.17 5.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 168.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -60.53 -3.71 0.74 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -14.78 43.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.471 0.653 . . . . 25.0 111.37 171.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.617 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -44.45 94.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.838 0.828 . . . . 25.0 111.069 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.78 97.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.876 -1.056 . . . . 25.0 109.504 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.19 88.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.318 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -61.93 -34.2 75.65 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 25.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -76.2 -40.32 52.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.142 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.72 -36.07 73.68 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.775 0.322 . . . . 25.0 110.713 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.0 -20.15 65.69 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -88.07 2.04 52.86 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.973 -0.455 . . . . 25.0 111.154 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.58 12.87 74.3 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.157 -0.544 . . . . 25.0 112.403 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -84.09 164.96 18.9 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -18.22 63.41 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.712 0.805 . . . . 25.0 112.343 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.92 -164.96 26.03 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.25 169.49 27.55 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.94 160.8 37.83 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.9 129.59 55.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.048 0.451 . . . . 25.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.15 162.73 26.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.12 2.39 4.04 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 116.692 1.437 . . . . 25.0 116.692 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -113.69 24.66 11.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 117.727 0.763 . . . . 25.0 111.11 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.39 28.98 17.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.575 1.15 . . . . 25.0 111.382 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -95.0 138.94 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.03 126.84 52.5 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.007 -0.997 . . . . 25.0 108.341 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.19 107.6 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.1 m -69.25 150.89 46.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.171 -1.377 . . . . 25.0 110.274 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -89.57 -180.0 5.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 p30 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 118.567 -0.73 . . . . 25.0 110.213 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 118.531 -0.747 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -117.98 156.7 28.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.741 0.7 . . . . 25.0 112.474 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 t -108.67 7.84 26.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.455 1.102 . . . . 25.0 108.856 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.78 158.14 25.7 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.19 45.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 123.581 1.658 . . . . 25.0 107.082 171.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.36 -34.58 55.02 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 112.476 -2.147 . . . . 25.0 110.738 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -88.03 9.27 22.99 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.08 -125.02 7.37 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 105.664 -2.974 . . . . 25.0 105.664 -174.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.57 160.68 0.26 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 115.994 1.85 . . . . 25.0 115.994 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.6 13.99 19.0 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 112.373 -2.194 . . . . 25.0 110.628 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.56 -35.85 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 122.321 1.058 . . . . 25.0 108.706 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.12 101.28 4.51 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.463 -2.421 . . . . 25.0 104.463 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.88 2.15 0.55 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 116.386 1.995 . . . . 25.0 116.386 -172.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -16.23 54.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 25.0 111.339 171.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.32 70.64 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.229 -0.896 . . . . 25.0 112.982 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -43.47 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.939 0.876 . . . . 25.0 110.987 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.724 -1.125 . . . . 25.0 109.827 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.08 86.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.222 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -61.61 -34.41 75.59 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.136 0.493 . . . . 25.0 110.477 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.57 -39.89 51.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.333 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.84 -36.18 74.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.893 0.378 . . . . 25.0 110.62 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.89 -20.24 65.68 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -87.82 1.82 52.95 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.039 -0.413 . . . . 25.0 111.154 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.99 12.62 73.73 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.119 -0.562 . . . . 25.0 112.307 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.33 164.9 18.68 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.47 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.704 0.801 . . . . 25.0 112.38 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.13 25.92 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 107.648 -2.181 . . . . 25.0 107.648 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.86 168.74 27.45 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 110.089 -1.204 . . . . 25.0 110.089 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -136.88 160.24 39.47 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.388 -0.968 . . . . 25.0 108.388 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.0 m -108.27 129.44 55.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.943 0.402 . . . . 25.0 111.608 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -79.53 162.64 25.26 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.19 1.91 4.58 Favored Glycine 0 C--O 1.218 -0.891 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -111.66 23.12 14.26 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 117.637 0.719 . . . . 25.0 110.974 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.29 29.07 17.27 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.569 1.147 . . . . 25.0 111.19 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -95.28 139.18 19.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.7 126.5 51.84 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -124.75 107.82 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.06 150.26 47.82 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.086 -1.415 . . . . 25.0 109.816 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -88.26 -179.49 6.15 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.4 p30 . . . . . 0 N--CA 1.44 -0.932 0 CA-C-O 118.579 -0.724 . . . . 25.0 110.247 174.613 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 118.568 -0.729 . . . . 25.0 109.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 157.08 30.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.889 0.768 . . . . 25.0 112.721 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -108.99 8.43 26.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.52 1.128 . . . . 25.0 108.789 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -61.82 155.84 22.11 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.315 1.228 . . . . 25.0 114.315 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.72 45.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 123.452 1.596 . . . . 25.0 106.818 172.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.55 -34.63 63.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.561 -2.109 . . . . 25.0 109.974 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 m -87.46 12.55 11.98 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.09 -121.56 7.25 Favored Glycine 0 N--CA 1.442 -0.904 1 N-CA-C 102.407 -4.277 . . . . 25.0 102.407 -166.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.75 157.04 0.42 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 123.527 1.632 . . . . 25.0 114.765 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.86 -1.8 19.73 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 111.812 -2.449 . . . . 25.0 109.223 -168.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.1 -39.23 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 122.561 1.172 . . . . 25.0 109.044 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.72 101.89 8.68 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 104.464 -2.421 . . . . 25.0 104.464 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -62.65 -4.03 1.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.866 1.802 . . . . 25.0 115.866 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -17.11 59.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.462 0.649 . . . . 25.0 111.727 171.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.28 68.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.549 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.575 0.703 . . . . 25.0 111.006 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.626 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.21 88.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.396 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.55 -37.07 82.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 25.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.76 -42.0 64.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 25.0 110.463 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.52 -36.31 73.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.754 0.312 . . . . 25.0 110.711 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.2 -16.64 64.16 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -92.33 2.75 56.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.914 -0.491 . . . . 25.0 110.724 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.27 79.37 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 121.117 -0.563 . . . . 25.0 112.498 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.81 163.25 23.59 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -5.68 28.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.7 -164.95 24.91 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 108.299 -1.92 . . . . 25.0 108.299 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.99 168.29 35.64 Favored Glycine 0 C--O 1.229 -0.202 0 CA-C-N 118.668 1.234 . . . . 25.0 110.757 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -137.02 160.95 37.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 117.91 0.855 . . . . 25.0 109.362 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.9 m -106.21 132.73 51.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -79.3 161.58 26.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 1.01 7.92 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -107.27 20.26 19.2 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 117.298 0.549 . . . . 25.0 110.659 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.58 28.0 16.46 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.711 1.205 . . . . 25.0 111.651 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.12 139.87 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.92 128.41 53.16 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.86 104.63 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.39 151.08 45.6 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.592 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -83.18 174.99 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 118.658 -0.687 . . . . 25.0 109.373 173.59 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.962 -0.542 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -113.47 147.88 37.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.282 0.492 . . . . 25.0 111.799 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.9 t -109.12 1.61 20.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.04 0.936 . . . . 25.0 109.27 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -68.46 155.23 40.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.87 45.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 123.615 1.674 . . . . 25.0 107.169 173.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.89 -32.43 45.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.164 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 m -83.17 11.7 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.291 1.219 . . . . 25.0 114.291 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.82 -120.13 6.08 Favored Glycine 0 N--CA 1.439 -1.102 1 N-CA-C 102.797 -4.121 . . . . 25.0 102.797 -169.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.98 158.27 0.34 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 123.544 1.64 . . . . 25.0 114.715 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.82 11.22 25.12 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 112.067 -2.333 . . . . 25.0 110.482 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.24 -39.22 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.937 0.875 . . . . 25.0 109.418 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -77.98 103.65 8.05 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 104.033 -2.58 . . . . 25.0 104.033 166.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -64.71 3.17 0.55 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.075 1.88 . . . . 25.0 116.075 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -15.43 56.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.534 0.683 . . . . 25.0 111.032 170.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.02 65.84 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.421 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.19 94.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.737 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.51 96.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.004 -0.998 . . . . 25.0 109.515 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.89 85.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.397 -0.82 . . . . 25.0 111.318 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -61.72 -31.48 71.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.038 0.447 . . . . 25.0 110.8 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -80.13 -41.25 25.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.57 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.49 -34.82 71.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.495 -0.321 . . . . 25.0 110.561 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.92 -9.39 29.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.49 7.46 30.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 122.144 -0.347 . . . . 25.0 110.631 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 7.48 86.81 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.03 -0.605 . . . . 25.0 112.848 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.58 161.56 26.91 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -18.06 65.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.77 -165.05 25.97 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.446 -2.261 . . . . 25.0 107.446 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.0 174.06 31.82 Favored Glycine 0 C--O 1.23 -0.103 0 CA-C-N 118.449 1.125 . . . . 25.0 111.449 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -137.06 160.92 37.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.7 m -104.03 137.49 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.897 0.38 . . . . 25.0 111.682 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -92.14 163.19 14.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.0 2.56 3.77 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 117.766 1.866 . . . . 25.0 117.766 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -110.77 23.51 14.09 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 117.995 0.898 . . . . 25.0 110.233 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.13 28.32 18.0 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.536 1.134 . . . . 25.0 111.24 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mt -93.85 138.71 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 106.476 -1.676 . . . . 25.0 106.476 175.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.92 126.98 52.56 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.78 104.72 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -69.6 150.92 46.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.991 -1.459 . . . . 25.0 110.489 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.2 mtt85 -92.35 175.09 6.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 173.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.673 -0.68 . . . . 25.0 109.488 176.372 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.512 -0.756 . . . . 25.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -113.54 158.27 20.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.707 0.685 . . . . 25.0 111.088 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -108.59 0.76 20.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.257 1.023 . . . . 25.0 108.706 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -74.8 160.91 30.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 45.08 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 123.245 1.498 . . . . 25.0 107.596 171.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.51 -33.05 42.44 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.862 -1.972 . . . . 25.0 109.502 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.5 m -86.99 9.32 19.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.932 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.01 -125.62 7.97 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 104.432 -3.467 . . . . 25.0 104.432 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.97 161.88 0.33 Allowed 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 123.276 1.512 . . . . 25.0 114.996 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 14.94 10.99 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 112.493 -2.14 . . . . 25.0 111.551 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.63 -36.1 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.93 0.871 . . . . 25.0 109.941 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -76.41 101.79 5.7 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 165.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -62.76 -1.45 0.87 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.992 1.849 . . . . 25.0 115.992 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -15.39 44.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.591 0.71 . . . . 25.0 111.222 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.83 62.67 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.982 -1.008 . . . . 25.0 112.918 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.08 94.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.936 0.874 . . . . 25.0 111.405 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.1 98.49 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.706 -1.134 . . . . 25.0 109.493 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.06 87.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.507 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -61.7 -34.6 76.06 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.187 0.518 . . . . 25.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.42 -39.88 52.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.899 -0.592 . . . . 25.0 111.252 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.89 -36.05 74.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.793 0.33 . . . . 25.0 110.565 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.54 -20.55 66.29 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.977 0.732 . . . . 25.0 112.977 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -87.5 1.39 53.65 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.01 -0.431 . . . . 25.0 110.917 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.39 10.93 76.33 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.187 -0.53 . . . . 25.0 112.737 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -81.58 164.76 21.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.6 -17.33 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -165.14 26.73 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.17 168.03 30.14 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 109.41 -1.476 . . . . 25.0 109.41 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -137.03 160.91 37.52 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.02 129.73 54.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.937 0.399 . . . . 25.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -80.06 162.69 24.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.297 -1.371 . . . . 25.0 107.297 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 3.21 4.13 Favored Glycine 0 C--O 1.219 -0.804 0 N-CA-C 116.19 1.236 . . . . 25.0 116.19 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -111.21 22.11 15.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 117.529 0.664 . . . . 25.0 111.011 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.02 28.27 17.12 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.444 1.098 . . . . 25.0 111.429 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.18 138.87 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.613 -1.625 . . . . 25.0 106.613 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.43 126.44 51.53 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.835 -1.075 . . . . 25.0 108.14 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.29 105.71 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.46 150.29 47.37 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.288 -1.324 . . . . 25.0 110.102 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 -179.77 6.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 172.595 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 118.749 -0.643 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.49 158.18 24.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.697 0.68 . . . . 25.0 111.235 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -108.92 0.56 20.22 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.464 1.106 . . . . 25.0 108.562 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -66.3 158.36 29.27 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 45.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 123.618 1.675 . . . . 25.0 106.961 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.6 tp -71.53 -31.76 67.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.633 -2.076 . . . . 25.0 109.109 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 11.86 10.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.89 -121.18 6.82 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 103.261 -3.935 . . . . 25.0 103.261 -170.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.96 158.29 0.34 Allowed 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 123.31 1.528 . . . . 25.0 114.832 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.6 14.97 26.14 Favored Glycine 0 C--O 1.226 -0.346 0 CA-C-N 112.461 -2.154 . . . . 25.0 110.021 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.41 -36.38 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 122.293 1.044 . . . . 25.0 110.491 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.57 109.34 11.44 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.882 -2.266 . . . . 25.0 104.882 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -60.92 -5.15 1.22 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -173.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.36 48.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.481 0.658 . . . . 25.0 111.69 172.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.28 -32.59 64.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.241 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -45.02 93.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.753 0.787 . . . . 25.0 110.864 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.96 97.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.404 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.47 87.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.497 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -61.53 -32.36 72.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.074 0.464 . . . . 25.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -79.32 -40.87 29.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.771 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.61 -34.9 71.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.81 0.338 . . . . 25.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.15 -8.84 26.38 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -105.31 6.6 32.89 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.104 -0.373 . . . . 25.0 110.531 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.18 8.05 85.99 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.021 -0.609 . . . . 25.0 112.71 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -78.76 161.91 26.51 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -17.07 64.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.73 -164.93 26.29 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 107.813 -2.115 . . . . 25.0 107.813 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.4 170.97 31.0 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 118.371 1.086 . . . . 25.0 111.306 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -137.04 160.98 37.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.55 136.5 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 25.0 112.092 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.73 162.71 22.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.14 1.28 6.54 Favored Glycine 0 C--O 1.22 -0.761 0 N-CA-C 115.914 1.126 . . . . 25.0 115.914 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.06 23.57 13.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 117.562 0.681 . . . . 25.0 110.988 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.73 27.79 16.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.632 1.173 . . . . 25.0 112.011 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 106.53 -1.656 . . . . 25.0 106.53 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -105.06 128.55 53.38 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.67 106.04 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.58 150.83 45.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -91.0 175.08 7.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 p30 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.525 175.781 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 118.59 -0.719 . . . . 25.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -115.26 158.03 22.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.729 0.695 . . . . 25.0 111.576 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 t -108.48 2.46 22.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.621 1.168 . . . . 25.0 108.952 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.15 160.44 31.21 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 46.32 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.713 1.72 . . . . 25.0 106.965 172.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.5 tp -80.05 -34.64 38.03 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.59 -2.096 . . . . 25.0 109.692 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.48 9.25 16.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -125.06 7.18 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 105.596 -3.001 . . . . 25.0 105.596 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.41 161.7 0.43 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.09 1.515 . . . . 25.0 115.09 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.64 14.86 11.86 Favored Glycine 0 C--N 1.318 -0.44 0 CA-C-N 112.418 -2.174 . . . . 25.0 111.528 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.69 -38.23 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 122.074 0.94 . . . . 25.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.84 105.75 8.09 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 105.051 -2.203 . . . . 25.0 105.051 167.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -62.11 -3.37 1.24 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.816 1.784 . . . . 25.0 115.816 -173.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -15.54 47.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.67 0.748 . . . . 25.0 111.521 171.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.11 65.26 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.154 -0.93 . . . . 25.0 112.719 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.51 95.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.903 0.859 . . . . 25.0 111.206 177.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.11 98.04 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.535 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.02 87.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.908 -1.042 . . . . 25.0 111.434 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -61.77 -34.28 75.6 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.172 0.511 . . . . 25.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -76.5 -40.31 50.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.09 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.72 -36.22 73.94 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.784 0.326 . . . . 25.0 110.702 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -64.0 -20.21 65.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -88.14 1.83 53.47 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 122.045 -0.41 . . . . 25.0 111.091 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.86 12.85 73.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.327 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -84.2 164.9 18.82 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.81 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.531 0.732 . . . . 25.0 112.493 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.05 25.93 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.04 27.85 Favored Glycine 0 CA--C 1.508 -0.346 0 N-CA-C 110.039 -1.224 . . . . 25.0 110.039 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.64 160.74 37.89 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.59 129.64 55.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 25.0 111.498 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.49 162.33 26.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.69 2.56 4.5 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 116.365 1.306 . . . . 25.0 116.365 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -111.88 23.16 14.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 117.592 0.696 . . . . 25.0 110.948 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.48 28.59 16.84 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.529 1.131 . . . . 25.0 111.305 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mt -95.04 139.13 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.801 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.78 126.76 52.18 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.89 107.38 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.08 150.75 47.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.223 -1.353 . . . . 25.0 110.075 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -89.52 -179.71 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 p30 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.333 174.699 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -119.1 161.31 20.51 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.598 0.635 . . . . 25.0 111.258 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 t -106.98 -0.9 22.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.556 1.143 . . . . 25.0 108.239 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.25 154.4 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 44.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.505 1.621 . . . . 25.0 106.776 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -71.41 -29.5 64.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.739 -2.028 . . . . 25.0 108.857 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -83.74 11.4 7.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.25 -120.07 6.49 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 104.308 -3.517 . . . . 25.0 104.308 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.0 159.59 0.25 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 123.199 1.476 . . . . 25.0 114.363 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.05 15.07 27.11 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 112.752 -2.022 . . . . 25.0 110.498 -170.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.47 -36.8 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.915 0.864 . . . . 25.0 111.672 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.11 112.87 10.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -59.09 -7.95 1.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -13.77 35.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.226 0.536 . . . . 25.0 111.736 171.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.29 64.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.455 0.702 . . . . 25.0 112.008 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.52 91.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.737 0.779 . . . . 25.0 110.714 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.35 99.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 25.0 109.357 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.09 89.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.38 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -61.83 -36.03 79.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.976 0.417 . . . . 25.0 110.026 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.91 -42.03 63.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.623 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.06 -35.4 73.29 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.791 0.329 . . . . 25.0 110.616 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.61 -8.31 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -107.32 7.63 29.32 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.16 -0.337 . . . . 25.0 110.341 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.36 7.35 86.67 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.028 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.01 161.47 26.59 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.54 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.82 -165.01 25.18 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 107.27 -2.332 . . . . 25.0 107.27 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.05 173.47 34.0 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 118.706 1.253 . . . . 25.0 111.645 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -137.03 161.05 37.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.6 m -102.28 135.11 44.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 25.0 111.553 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -81.37 163.35 22.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.03 1.4 6.15 Favored Glycine 0 C--O 1.219 -0.827 0 N-CA-C 115.843 1.097 . . . . 25.0 115.843 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -111.86 22.57 14.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 117.523 0.662 . . . . 25.0 110.98 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.45 25.69 15.31 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.838 1.255 . . . . 25.0 112.266 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.1 141.33 14.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.99 128.58 53.35 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.5 104.39 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -71.7 151.01 43.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.403 -1.271 . . . . 25.0 110.135 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.5 mtt85 -86.04 175.03 8.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 174.836 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.938 -0.554 . . . . 25.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -117.88 163.01 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.251 0.478 . . . . 25.0 112.09 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 t -109.01 3.08 21.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.619 1.168 . . . . 25.0 108.392 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -64.06 155.43 31.32 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.97 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -69.56 -31.99 70.5 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 112.56 -2.109 . . . . 25.0 109.248 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -83.81 11.41 7.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 115.283 1.586 . . . . 25.0 115.283 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.25 -121.09 6.71 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 103.292 -3.923 . . . . 25.0 103.292 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -49.04 158.57 0.33 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 123.162 1.458 . . . . 25.0 114.672 178.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 14.87 25.71 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 112.62 -2.082 . . . . 25.0 109.783 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -56.13 -35.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.927 0.87 . . . . 25.0 110.746 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -72.42 109.94 6.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.421 -2.066 . . . . 25.0 105.421 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.76 -7.05 2.04 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.941 1.46 . . . . 25.0 114.941 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.83 -13.7 36.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.17 0.51 . . . . 25.0 111.889 171.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.08 67.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.417 0.687 . . . . 25.0 111.648 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -45.12 93.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.768 0.794 . . . . 25.0 111.061 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.55 99.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.566 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.93 88.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.411 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.86 -36.31 80.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 25.0 110.4 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.95 -41.49 64.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.575 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -58.63 -36.32 73.89 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.857 0.36 . . . . 25.0 110.544 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.68 -14.22 62.22 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -94.97 2.96 55.43 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.491 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.56 77.66 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 121.099 -0.572 . . . . 25.0 112.515 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -81.67 164.32 21.89 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -17.53 64.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.179 0.592 . . . . 25.0 112.292 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.34 -164.97 26.48 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.911 -2.075 . . . . 25.0 107.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.56 170.46 32.34 Favored Glycine 0 CA--C 1.512 -0.109 0 CA-C-N 118.452 1.126 . . . . 25.0 111.383 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -137.01 160.91 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -102.72 136.78 41.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.798 0.333 . . . . 25.0 111.247 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.65 163.23 18.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.41 3.53 4.53 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 115.99 1.156 . . . . 25.0 115.99 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.23 18.86 20.61 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 117.338 0.569 . . . . 25.0 110.745 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.8 27.61 16.88 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.508 1.123 . . . . 25.0 111.445 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.98 142.12 14.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.558 -1.645 . . . . 25.0 106.558 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -103.7 128.9 50.99 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -121.86 104.11 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.14 150.44 45.42 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.725 -1.125 . . . . 25.0 109.948 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 175.02 7.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.729 -0.653 . . . . 25.0 109.437 176.619 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.917 -0.563 . . . . 25.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -115.39 159.28 21.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.225 0.536 . . . . 25.0 112.263 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 t -108.95 0.52 20.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.653 1.181 . . . . 25.0 108.521 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.46 155.19 29.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 45.19 1.0 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 123.505 1.621 . . . . 25.0 107.365 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -75.23 -33.62 61.36 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 112.904 -1.953 . . . . 25.0 109.302 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -86.86 11.56 13.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.589 -1.187 . . . . 25.0 114.203 -175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.37 -121.26 6.52 Favored Glycine 0 N--CA 1.441 -1.01 1 N-CA-C 101.63 -4.588 . . . . 25.0 101.63 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.11 158.19 0.38 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 123.612 1.672 . . . . 25.0 114.532 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.39 3.23 24.24 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 111.907 -2.406 . . . . 25.0 109.105 -168.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.13 -38.1 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.167 0.984 . . . . 25.0 109.107 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.38 99.44 5.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 167.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -62.22 -4.43 1.75 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.507 1.669 . . . . 25.0 115.507 -173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -16.09 55.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.268 0.556 . . . . 25.0 111.879 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -37.78 72.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.022 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -44.24 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.757 0.789 . . . . 25.0 111.043 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.1 99.05 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.017 -0.992 . . . . 25.0 109.792 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.79 88.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.248 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -62.39 -30.41 71.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.982 0.42 . . . . 25.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.0 m -80.65 -40.07 26.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.937 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.91 -34.62 71.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.714 0.292 . . . . 25.0 110.331 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.56 -9.04 23.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -105.16 6.39 33.06 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.132 -0.355 . . . . 25.0 110.708 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.96 8.82 85.26 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.997 -0.621 . . . . 25.0 112.758 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.33 161.97 26.82 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -17.19 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.164 0.585 . . . . 25.0 112.247 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.73 -165.03 26.61 Favored Glycine 0 CA--C 1.506 -0.488 0 N-CA-C 107.522 -2.231 . . . . 25.0 107.522 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.97 167.52 28.29 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 110.508 -1.037 . . . . 25.0 110.508 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -137.07 160.93 37.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.46 131.16 53.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.952 0.406 . . . . 25.0 111.192 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.53 163.57 26.18 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.25 -0.48 7.77 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 115.599 0.999 . . . . 25.0 115.599 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -108.21 20.06 19.14 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 117.391 0.596 . . . . 25.0 110.919 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.99 30.38 17.98 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.424 1.09 . . . . 25.0 111.205 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -96.17 140.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 106.517 -1.66 . . . . 25.0 106.517 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -99.98 126.93 46.23 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.26 107.51 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 -175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.89 149.47 47.8 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.592 -1.186 . . . . 25.0 109.93 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -87.54 175.05 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 118.655 -0.688 . . . . 25.0 109.408 175.087 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -115.92 162.54 17.19 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.325 0.511 . . . . 25.0 111.788 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -108.36 0.95 21.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.543 1.137 . . . . 25.0 108.484 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.24 154.04 36.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.76 45.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.639 1.685 . . . . 25.0 107.069 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.2 tp -70.37 -29.45 66.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.674 -2.057 . . . . 25.0 108.358 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -77.96 10.21 3.03 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 116.227 1.936 . . . . 25.0 116.227 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.77 -121.14 6.14 Favored Glycine 0 N--CA 1.439 -1.12 1 N-CA-C 102.996 -4.042 . . . . 25.0 102.996 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.99 157.94 0.37 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-O 123.131 1.443 . . . . 25.0 114.579 178.06 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 15.13 33.06 Favored Glycine 0 C--O 1.222 -0.65 0 CA-C-N 112.808 -1.996 . . . . 25.0 109.915 -168.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -49.79 -37.41 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.005 0.922 . . . . 25.0 113.156 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -76.1 119.14 19.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.433 -1.692 . . . . 25.0 106.433 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -59.06 -6.53 0.86 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -14.03 38.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.157 0.503 . . . . 25.0 111.712 171.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -33.8 66.01 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.402 0.681 . . . . 25.0 111.883 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -45.31 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.815 0.817 . . . . 25.0 110.892 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.4 99.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.98 -1.009 . . . . 25.0 109.394 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.304 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -61.74 -34.14 75.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.141 0.496 . . . . 25.0 110.696 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.2 m -75.91 -42.13 49.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.453 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 mt -58.74 -34.65 71.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.712 0.292 . . . . 25.0 110.603 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.73 -10.21 44.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -102.67 5.82 39.24 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.003 -0.436 . . . . 25.0 110.279 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.35 83.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.031 -0.604 . . . . 25.0 112.727 -176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.35 163.52 24.79 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -17.65 64.65 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.294 0.638 . . . . 25.0 112.527 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.75 -165.02 25.68 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 107.725 -2.15 . . . . 25.0 107.725 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.46 171.3 32.94 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 118.471 1.136 . . . . 25.0 111.532 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.83 161.1 36.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.79 138.17 40.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -85.33 162.96 18.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.52 3.19 4.97 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 116.129 1.212 . . . . 25.0 116.129 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -111.3 22.41 15.2 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 117.562 0.681 . . . . 25.0 110.686 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.96 26.96 16.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.696 1.198 . . . . 25.0 111.761 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.59 141.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.86 129.18 53.24 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.7 t -119.84 102.57 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.79 149.92 44.86 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.727 -1.124 . . . . 25.0 110.226 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -88.69 174.98 7.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.901 -2.259 . . . . 25.0 104.901 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p30 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 118.683 -0.675 . . . . 25.0 109.416 175.064 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -117.53 165.76 13.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 25.0 111.231 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -108.97 0.93 20.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.382 1.073 . . . . 25.0 108.189 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.46 152.85 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.689 -0.687 . . . . 25.0 112.476 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.41 45.07 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.532 1.634 . . . . 25.0 107.214 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -73.17 -29.53 62.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 112.71 -2.041 . . . . 25.0 108.892 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -82.54 11.03 6.15 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.46 -121.42 6.59 Favored Glycine 0 N--CA 1.44 -1.063 1 N-CA-C 102.92 -4.072 . . . . 25.0 102.92 -172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 158.86 0.29 Allowed 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 123.263 1.506 . . . . 25.0 114.268 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 15.1 23.7 Favored Glycine 0 C--N 1.317 -0.511 0 CA-C-N 112.56 -2.109 . . . . 25.0 111.186 -170.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.56 -37.58 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.872 0.844 . . . . 25.0 111.109 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -74.33 115.69 14.13 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -59.95 -5.97 1.16 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -15.09 54.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.277 0.561 . . . . 25.0 111.702 171.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.47 -34.14 68.71 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.062 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.803 0.811 . . . . 25.0 110.312 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.29 99.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.798 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.49 90.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.3 -0.864 . . . . 25.0 111.2 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -63.0 -34.39 77.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 25.0 110.609 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.6 m -73.7 -40.88 63.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.525 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.74 -36.4 74.26 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.76 0.314 . . . . 25.0 110.549 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.21 -19.39 65.95 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -90.03 2.08 55.59 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.981 -0.449 . . . . 25.0 110.814 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.14 12.94 72.55 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.18 -0.533 . . . . 25.0 112.687 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.51 164.95 18.47 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.62 65.46 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.366 0.667 . . . . 25.0 112.465 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.65 -164.98 26.59 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 107.621 -2.192 . . . . 25.0 107.621 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.53 171.83 33.0 Favored Glycine 0 C--O 1.229 -0.159 0 CA-C-N 118.476 1.138 . . . . 25.0 111.375 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -137.08 160.95 37.44 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.04 136.27 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.824 0.345 . . . . 25.0 111.421 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.67 163.41 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.28 3.04 4.74 Favored Glycine 0 C--O 1.218 -0.905 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -109.51 19.39 19.33 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 117.378 0.589 . . . . 25.0 110.738 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.55 27.43 16.23 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.586 1.154 . . . . 25.0 111.874 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 mt -96.64 143.19 12.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.89 130.08 48.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.24 103.62 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.06 150.68 45.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.886 -1.052 . . . . 25.0 110.04 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -90.47 175.04 7.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.239 0.502 0 CA-C-O 118.607 -0.711 . . . . 25.0 110.213 176.881 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.928 -0.558 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -112.05 159.8 18.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 25.0 112.033 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 t -108.96 2.28 21.25 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.396 1.078 . . . . 25.0 109.246 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -63.63 153.64 35.35 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 45.58 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.631 1.681 . . . . 25.0 106.988 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.42 -31.82 48.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.563 -2.108 . . . . 25.0 109.137 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -87.34 12.48 11.89 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.599 1.333 . . . . 25.0 114.599 -175.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.43 -121.67 7.3 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 104.524 -3.43 . . . . 25.0 104.524 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 9' ' ' THR . 0.3 OUTLIER -48.85 158.58 0.31 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.0 6.73 31.94 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-N 112.233 -2.258 . . . . 25.0 110.311 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.4 -41.73 63.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 122.117 0.96 . . . . 25.0 109.778 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.6 109.24 14.94 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.27 -4.18 1.67 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -14.93 53.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 111.912 172.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -37.0 74.08 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.859 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -44.33 96.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.762 0.791 . . . . 25.0 110.546 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.95 99.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.979 -1.009 . . . . 25.0 109.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.57 87.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.189 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -62.33 -32.42 73.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.986 0.422 . . . . 25.0 110.847 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -78.24 -40.53 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.758 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.77 -34.76 71.81 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.712 0.292 . . . . 25.0 110.419 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.3 mt -66.32 -10.13 39.86 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -102.99 5.23 38.16 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.007 -0.433 . . . . 25.0 110.465 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.9 9.57 82.44 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.774 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -79.25 162.89 25.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -16.92 64.43 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.142 0.577 . . . . 25.0 112.55 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.23 -164.93 26.81 Favored Glycine 0 CA--C 1.507 -0.428 0 N-CA-C 107.457 -2.257 . . . . 25.0 107.457 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 169.25 31.25 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 109.97 -1.252 . . . . 25.0 109.97 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -137.07 160.82 37.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.6 m -106.44 134.17 50.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.19 161.04 27.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.03 0.32 11.77 Favored Glycine 0 C--O 1.218 -0.874 0 N-CA-C 114.287 0.475 . . . . 25.0 114.287 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -104.67 17.97 23.13 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 123.373 0.669 . . . . 25.0 110.585 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.77 28.1 16.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.828 1.251 . . . . 25.0 111.987 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.27 140.99 16.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -101.45 127.2 48.23 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.89 104.32 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.72 150.53 47.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.801 -1.09 . . . . 25.0 110.267 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.34 174.94 7.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.636 -2.357 . . . . 25.0 104.636 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 118.945 -0.55 . . . . 25.0 109.567 176.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -118.19 160.27 21.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.34 0.518 . . . . 25.0 112.263 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.99 1.23 20.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.929 1.292 . . . . 25.0 108.484 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.08 154.72 26.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 45.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.509 1.624 . . . . 25.0 106.783 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.76 -32.67 67.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.469 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -87.33 12.38 12.12 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.814 1.413 . . . . 25.0 114.814 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.95 -121.06 6.79 Favored Glycine 0 N--CA 1.441 -0.978 1 N-CA-C 101.18 -4.768 . . . . 25.0 101.18 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.94 157.89 0.37 Allowed 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 123.526 1.631 . . . . 25.0 114.334 177.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.27 4.37 14.04 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 111.934 -2.393 . . . . 25.0 110.212 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.27 -36.85 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 122.351 1.072 . . . . 25.0 108.561 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -75.83 100.03 4.64 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.282 -2.488 . . . . 25.0 104.282 166.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -62.95 -3.35 1.58 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.103 1.52 . . . . 25.0 115.103 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -15.67 48.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.303 0.573 . . . . 25.0 111.653 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.58 67.78 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.555 -0.748 . . . . 25.0 112.067 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.81 92.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.882 0.849 . . . . 25.0 110.485 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.79 98.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.841 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.71 87.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.298 -0.865 . . . . 25.0 111.192 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -62.06 -33.53 74.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.068 0.461 . . . . 25.0 110.566 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -76.75 -41.09 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.637 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.67 -35.53 72.73 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.805 0.336 . . . . 25.0 110.48 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -67.03 -9.66 41.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -102.52 5.39 39.39 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.026 -0.421 . . . . 25.0 110.291 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.98 82.19 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.018 -0.61 . . . . 25.0 112.873 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.76 163.5 23.45 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -17.48 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -164.95 26.22 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 107.488 -2.245 . . . . 25.0 107.488 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.48 171.73 31.67 Favored Glycine 0 N--CA 1.457 0.058 0 CA-C-N 118.434 1.117 . . . . 25.0 111.309 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -137.06 161.06 37.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -104.49 136.61 43.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.07 164.52 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 173.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.88 -0.33 8.67 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -107.56 19.34 20.33 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.497 0.648 . . . . 25.0 110.846 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.48 29.66 18.5 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.209 1.004 . . . . 25.0 110.982 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.94 143.54 11.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.95 129.35 53.37 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.23 104.37 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.23 150.47 46.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.671 -1.15 . . . . 25.0 110.162 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -89.62 174.82 7.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 173.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 118.753 -0.641 . . . . 25.0 109.738 175.916 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -116.93 157.2 26.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.69 0.677 . . . . 25.0 112.017 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 t -108.92 7.2 25.91 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.384 1.074 . . . . 25.0 108.64 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.5 154.94 27.1 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.799 1.036 . . . . 25.0 113.799 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.48 45.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 171.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.59 -32.82 71.79 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 112.554 -2.112 . . . . 25.0 109.477 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.17 12.09 8.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.36 -120.07 6.39 Favored Glycine 0 N--CA 1.442 -0.902 1 N-CA-C 102.76 -4.136 . . . . 25.0 102.76 -169.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.92 159.04 0.28 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 123.459 1.599 . . . . 25.0 114.613 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.13 10.97 28.86 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 112.241 -2.254 . . . . 25.0 109.684 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.12 -36.66 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-O 122.307 1.051 . . . . 25.0 108.866 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -77.42 104.91 8.22 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.592 -2.373 . . . . 25.0 104.592 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -62.53 -1.14 0.72 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -15.25 52.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 25.0 111.623 172.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.99 69.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.534 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.96 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.591 0.71 . . . . 25.0 111.008 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.42 97.96 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.542 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.93 88.28 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.133 -0.94 . . . . 25.0 111.427 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -61.93 -35.02 77.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 120.978 0.418 . . . . 25.0 110.627 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -74.02 -42.11 60.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.145 -0.479 . . . . 25.0 110.497 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.8 -35.57 73.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.773 0.321 . . . . 25.0 110.735 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.63 -10.43 45.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -100.61 4.81 43.64 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.086 -0.384 . . . . 25.0 110.549 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.31 82.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.006 -0.616 . . . . 25.0 112.514 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -79.68 162.66 25.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -14.94 61.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.351 0.661 . . . . 25.0 112.627 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.03 25.55 Favored Glycine 0 C--O 1.222 -0.653 0 N-CA-C 107.882 -2.087 . . . . 25.0 107.882 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.61 168.74 30.46 Favored Glycine 0 CA--C 1.51 -0.242 0 CA-C-N 118.214 1.007 . . . . 25.0 110.624 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -136.92 160.83 37.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.2 m -106.76 134.32 50.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.898 0.38 . . . . 25.0 111.791 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -82.2 161.98 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.73 4.03 4.52 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.861 1.104 . . . . 25.0 115.861 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -112.34 23.16 13.94 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 117.521 0.66 . . . . 25.0 110.892 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.53 27.06 16.06 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.718 1.207 . . . . 25.0 111.952 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -95.99 139.64 18.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -105.03 127.83 53.05 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.53 104.26 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 107.147 -1.427 . . . . 25.0 107.147 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.5 m -70.26 149.14 47.75 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.568 -1.196 . . . . 25.0 109.239 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -87.06 175.07 8.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 104.898 -2.26 . . . . 25.0 104.898 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 p30 . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 118.691 -0.671 . . . . 25.0 109.48 175.105 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.786 -0.626 . . . . 25.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 t -117.49 156.07 28.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.0 5.22 24.02 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.613 1.165 . . . . 25.0 109.314 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.65 156.76 22.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.06 44.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 123.512 1.625 . . . . 25.0 107.596 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.45 -30.43 37.56 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 112.755 -2.021 . . . . 25.0 109.764 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -93.54 13.03 23.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.746 -1.115 . . . . 25.0 113.8 -175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.01 -121.52 7.26 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 102.234 -4.346 . . . . 25.0 102.234 -167.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.42 155.6 0.73 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.577 1.656 . . . . 25.0 114.791 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.55 -12.01 6.67 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 111.68 -2.509 . . . . 25.0 108.882 -169.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -54.91 -42.27 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 122.345 1.069 . . . . 25.0 109.377 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -77.43 97.78 5.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 167.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -61.99 -7.89 4.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -18.29 61.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.318 0.58 . . . . 25.0 112.289 172.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.9 78.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.49 98.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.641 0.734 . . . . 25.0 110.635 177.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.36 99.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.222 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.32 88.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.979 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -63.16 -31.54 72.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.89 0.376 . . . . 25.0 111.123 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.3 -40.86 50.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.725 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.81 -35.15 72.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.73 0.3 . . . . 25.0 110.498 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.18 -9.04 28.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -103.63 5.77 36.69 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.06 -0.4 . . . . 25.0 110.722 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.99 7.7 85.09 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.68 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.86 161.63 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -14.48 61.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.13 -164.98 26.09 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 107.782 -2.127 . . . . 25.0 107.782 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.11 167.81 30.1 Favored Glycine 0 C--N 1.323 -0.154 0 CA-C-N 118.467 1.133 . . . . 25.0 111.292 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -137.05 160.93 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m -105.92 133.21 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -81.32 163.34 22.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.71 1.44 5.66 Favored Glycine 0 C--O 1.217 -0.912 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -109.27 20.89 17.78 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.559 0.68 . . . . 25.0 110.614 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.63 30.04 18.43 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.434 1.094 . . . . 25.0 110.971 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mt -96.16 141.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.19 126.52 46.48 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -120.72 103.58 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.1 m -69.69 148.51 49.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.356 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -85.78 175.05 8.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 104.581 -2.377 . . . . 25.0 104.581 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 118.707 -0.664 . . . . 25.0 109.365 175.436 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -112.6 159.43 18.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.6 0.636 . . . . 25.0 111.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.9 t -108.99 0.96 20.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.499 1.12 . . . . 25.0 108.383 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -70.81 157.26 38.4 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.274 1.213 . . . . 25.0 114.274 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 123.491 1.615 . . . . 25.0 107.224 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 tp -71.1 -31.08 67.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.728 -2.033 . . . . 25.0 108.403 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -85.38 11.41 10.35 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.16 -121.1 6.57 Favored Glycine 0 N--CA 1.442 -0.946 1 N-CA-C 102.824 -4.11 . . . . 25.0 102.824 -171.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -49.12 158.89 0.32 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 123.125 1.441 . . . . 25.0 114.57 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.24 15.04 22.72 Favored Glycine 0 C--N 1.32 -0.355 0 CA-C-N 112.781 -2.009 . . . . 25.0 110.545 -170.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.95 -37.34 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.775 0.798 . . . . 25.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.53 109.96 8.43 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -61.71 -5.06 1.7 Allowed 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -14.86 48.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.373 0.606 . . . . 25.0 111.611 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.67 65.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.997 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -45.05 94.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.719 0.771 . . . . 25.0 111.246 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.8 99.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.082 -0.963 . . . . 25.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.87 88.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.527 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.0 -36.27 79.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.174 0.511 . . . . 25.0 110.405 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.88 -41.36 59.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.799 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.68 -35.53 72.74 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.796 0.331 . . . . 25.0 110.594 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.99 -11.09 55.85 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -99.46 4.17 46.0 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.006 -0.433 . . . . 25.0 110.4 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.38 11.46 80.38 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.976 -0.631 . . . . 25.0 112.59 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.95 163.79 23.06 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.145 -1.057 . . . . 25.0 108.145 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.81 64.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.277 0.631 . . . . 25.0 112.315 177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.09 -165.02 26.38 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 107.796 -2.121 . . . . 25.0 107.796 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.45 169.18 31.0 Favored Glycine 0 CA--C 1.511 -0.18 0 CA-C-N 118.324 1.062 . . . . 25.0 111.036 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -136.96 161.1 36.96 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.59 135.42 47.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 25.0 111.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -82.35 162.66 22.14 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.54 2.47 5.88 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.781 1.072 . . . . 25.0 115.781 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -109.98 21.53 16.71 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 117.505 0.653 . . . . 25.0 110.758 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.06 28.11 16.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.469 1.108 . . . . 25.0 111.582 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.96 141.21 15.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.86 128.02 52.9 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.26 105.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.8 m -70.92 149.93 46.23 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.628 -1.169 . . . . 25.0 109.948 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -89.15 175.01 7.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.767 -2.308 . . . . 25.0 104.767 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.77 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.602 -0.714 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 t -116.81 158.23 24.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.777 0.717 . . . . 25.0 111.709 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.7 t -108.99 4.76 23.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.505 1.122 . . . . 25.0 108.704 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.07 151.73 39.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 45.36 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 123.633 1.683 . . . . 25.0 106.629 172.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.0 tp -72.54 -30.59 64.58 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 112.568 -2.106 . . . . 25.0 109.271 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.05 11.87 8.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.73 -120.51 6.79 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 104.642 -3.383 . . . . 25.0 104.642 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -48.88 158.05 0.35 Allowed 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.72 14.97 30.44 Favored Glycine 0 C--N 1.32 -0.332 0 CA-C-N 112.667 -2.061 . . . . 25.0 110.049 -170.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.92 -39.01 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 122.025 0.917 . . . . 25.0 111.038 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.71 115.05 15.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 171.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -61.82 -2.87 0.95 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.773 1.768 . . . . 25.0 115.773 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.09 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.314 0.578 . . . . 25.0 111.379 171.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.3 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.484 -0.78 . . . . 25.0 111.963 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.63 94.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.69 0.757 . . . . 25.0 110.666 177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.61 98.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.048 -0.978 . . . . 25.0 109.517 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.25 87.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.237 -0.892 . . . . 25.0 111.238 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.94 -32.79 73.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.062 0.458 . . . . 25.0 110.695 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.7 m -77.31 -42.79 35.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.205 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.59 -34.58 71.25 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.008 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.14 -13.33 57.86 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.453 0.908 . . . . 25.0 113.453 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -102.17 5.74 40.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.168 -0.333 . . . . 25.0 110.72 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.12 9.23 84.42 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.011 -0.614 . . . . 25.0 112.83 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -78.79 161.6 26.7 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -16.57 63.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.26 -165.02 25.29 Favored Glycine 0 C--O 1.224 -0.52 0 N-CA-C 107.561 -2.215 . . . . 25.0 107.561 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.21 172.05 33.44 Favored Glycine 0 C--O 1.229 -0.156 0 CA-C-N 118.532 1.166 . . . . 25.0 111.611 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -137.08 160.99 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.17 139.66 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.95 162.83 16.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.924 -1.509 . . . . 25.0 106.924 171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -0.78 11.33 Favored Glycine 0 C--O 1.217 -0.964 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -100.15 15.01 28.84 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 117.204 0.502 . . . . 25.0 110.524 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.78 29.56 18.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.382 1.073 . . . . 25.0 111.051 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.5 142.57 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.82 128.34 52.96 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.704 -0.851 . . . . 25.0 108.704 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -116.09 100.96 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 -176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.69 149.68 46.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.716 -1.129 . . . . 25.0 109.458 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 174.89 7.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--O 1.239 0.516 0 CA-C-O 118.712 -0.661 . . . . 25.0 109.7 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -119.5 158.14 26.87 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.695 0.679 . . . . 25.0 112.367 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -108.41 7.3 26.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.651 1.18 . . . . 25.0 108.821 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.46 158.52 29.28 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.259 1.207 . . . . 25.0 114.259 -176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.74 45.52 1.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 123.589 1.662 . . . . 25.0 106.583 173.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.38 -34.9 41.57 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.706 -2.043 . . . . 25.0 111.401 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -89.67 9.47 26.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.98 -125.23 6.56 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 106.463 -2.655 . . . . 25.0 106.463 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.16 160.03 0.25 Allowed 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 115.948 1.833 . . . . 25.0 115.948 178.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 14.02 14.76 Favored Glycine 0 C--N 1.318 -0.447 0 CA-C-N 112.418 -2.174 . . . . 25.0 110.989 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.11 -37.42 61.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 122.4 1.095 . . . . 25.0 108.974 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -76.95 104.61 7.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.776 -2.305 . . . . 25.0 104.776 167.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -62.71 -2.47 1.15 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.051 1.871 . . . . 25.0 116.051 -173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -16.26 52.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.561 0.696 . . . . 25.0 111.623 172.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.64 -38.07 69.04 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.18 -0.918 . . . . 25.0 112.878 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.73 98.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.876 0.846 . . . . 25.0 111.144 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.97 97.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.669 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.2 87.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.237 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -61.91 -34.55 76.25 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.162 0.506 . . . . 25.0 110.52 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -75.59 -40.45 56.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.043 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.71 -36.5 74.35 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.768 0.318 . . . . 25.0 110.705 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.11 -20.21 65.81 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -87.3 1.64 52.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.016 -0.428 . . . . 25.0 111.159 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 12.9 73.37 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.08 -0.581 . . . . 25.0 112.33 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.77 164.97 18.19 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.1 62.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.726 0.81 . . . . 25.0 112.515 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.0 -165.16 25.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 107.809 -2.117 . . . . 25.0 107.809 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.59 169.41 28.47 Favored Glycine 0 CA--C 1.509 -0.305 0 N-CA-C 110.199 -1.16 . . . . 25.0 110.199 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -136.98 160.94 37.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.47 129.46 55.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.94 0.4 . . . . 25.0 111.277 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -80.04 162.6 24.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 173.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.21 1.68 4.81 Favored Glycine 0 C--O 1.218 -0.849 0 N-CA-C 116.416 1.326 . . . . 25.0 116.416 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.38 22.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 117.682 0.741 . . . . 25.0 110.91 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.21 28.4 17.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.532 1.133 . . . . 25.0 111.352 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.02 138.79 20.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.78 126.48 51.9 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.62 106.56 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.09 150.29 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.2 -1.364 . . . . 25.0 109.681 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -88.72 -179.55 6.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 118.518 -0.753 . . . . 25.0 110.254 174.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.656 -0.688 . . . . 25.0 109.434 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -119.93 157.76 28.1 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.743 0.701 . . . . 25.0 112.447 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.81 8.68 26.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.527 1.131 . . . . 25.0 108.746 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.86 156.53 30.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 46.49 1.68 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.771 1.748 . . . . 25.0 106.615 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 tp -79.21 -34.43 42.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 112.423 -2.171 . . . . 25.0 111.01 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -89.06 9.07 26.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -175.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.68 -124.79 6.41 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.944 -2.462 . . . . 25.0 106.944 -174.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.84 160.72 0.42 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 14.65 15.31 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 112.34 -2.209 . . . . 25.0 110.837 -173.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.88 -37.05 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 122.413 1.101 . . . . 25.0 109.254 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -76.04 105.55 7.15 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 104.856 -2.275 . . . . 25.0 104.856 168.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -62.15 -2.05 0.86 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.344 1.979 . . . . 25.0 116.344 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -16.49 55.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.577 0.703 . . . . 25.0 111.584 172.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.25 69.7 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.846 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.21 99.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.939 0.876 . . . . 25.0 111.028 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.11 97.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.778 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.1 86.65 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.009 -0.996 . . . . 25.0 111.088 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -61.85 -34.75 76.53 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.127 0.489 . . . . 25.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.0 -41.12 60.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.887 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.65 -36.55 74.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.884 0.374 . . . . 25.0 110.827 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.0 -20.42 65.89 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -87.69 1.57 53.4 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.069 -0.395 . . . . 25.0 111.171 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.97 12.96 73.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.023 -0.608 . . . . 25.0 112.444 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -85.15 165.03 17.77 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -15.34 60.56 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.67 0.788 . . . . 25.0 112.84 177.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.72 -165.14 25.12 Favored Glycine 0 C--O 1.219 -0.782 0 N-CA-C 107.741 -2.144 . . . . 25.0 107.741 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.66 170.21 29.14 Favored Glycine 0 CA--C 1.51 -0.254 0 CA-C-N 118.167 0.984 . . . . 25.0 110.661 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.04 160.58 38.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.67 130.23 55.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.027 0.441 . . . . 25.0 111.929 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.13 162.9 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.2 0.73 5.83 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 116.629 1.412 . . . . 25.0 116.629 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -110.46 23.1 14.68 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 117.74 0.77 . . . . 25.0 110.895 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.4 28.84 17.06 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.65 1.18 . . . . 25.0 111.318 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mt -94.92 138.5 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.824 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -104.51 126.72 51.86 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.15 -0.932 . . . . 25.0 108.524 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.64 104.74 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.6 m -68.76 150.07 48.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.266 -1.333 . . . . 25.0 109.532 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -88.1 -179.8 6.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.868 -1.901 . . . . 25.0 105.868 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 p30 . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 118.653 -0.689 . . . . 25.0 110.376 175.016 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.682 -0.675 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -115.08 159.68 20.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.553 0.615 . . . . 25.0 111.405 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 t -108.93 1.4 20.71 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.482 1.113 . . . . 25.0 108.506 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -71.57 159.05 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.71 45.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.368 1.556 . . . . 25.0 107.366 171.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.26 -32.18 58.7 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.77 -2.014 . . . . 25.0 108.831 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 m -82.66 8.83 10.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.33 -125.5 8.54 Favored Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 104.161 -3.576 . . . . 25.0 104.161 -173.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.5 161.28 0.33 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 176.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.99 14.94 17.65 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-N 112.62 -2.082 . . . . 25.0 111.082 -170.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.09 -36.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.839 0.828 . . . . 25.0 111.534 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.76 107.17 5.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 168.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -60.53 -3.71 0.74 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -14.78 43.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.471 0.653 . . . . 25.0 111.37 171.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.617 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -44.45 94.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.838 0.828 . . . . 25.0 111.069 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.78 97.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.876 -1.056 . . . . 25.0 109.504 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.19 88.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.318 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -61.93 -34.2 75.65 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 25.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -76.2 -40.32 52.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.142 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.72 -36.07 73.68 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.775 0.322 . . . . 25.0 110.713 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.0 -20.15 65.69 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -88.07 2.04 52.86 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.973 -0.455 . . . . 25.0 111.154 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.58 12.87 74.3 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.157 -0.544 . . . . 25.0 112.403 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -84.09 164.96 18.9 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -18.22 63.41 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.712 0.805 . . . . 25.0 112.343 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.92 -164.96 26.03 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.25 169.49 27.55 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.94 160.8 37.83 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.9 129.59 55.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.048 0.451 . . . . 25.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.15 162.73 26.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.12 2.39 4.04 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 116.692 1.437 . . . . 25.0 116.692 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -113.69 24.66 11.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 117.727 0.763 . . . . 25.0 111.11 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.39 28.98 17.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.575 1.15 . . . . 25.0 111.382 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -95.0 138.94 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.03 126.84 52.5 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.007 -0.997 . . . . 25.0 108.341 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.19 107.6 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.1 m -69.25 150.89 46.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.171 -1.377 . . . . 25.0 110.274 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -89.57 -180.0 5.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 p30 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 118.567 -0.73 . . . . 25.0 110.213 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 118.531 -0.747 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -117.98 156.7 28.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.741 0.7 . . . . 25.0 112.474 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 t -108.67 7.84 26.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.455 1.102 . . . . 25.0 108.856 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.78 158.14 25.7 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.19 45.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 123.581 1.658 . . . . 25.0 107.082 171.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.36 -34.58 55.02 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 112.476 -2.147 . . . . 25.0 110.738 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -88.03 9.27 22.99 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.08 -125.02 7.37 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 105.664 -2.974 . . . . 25.0 105.664 -174.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.57 160.68 0.26 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 115.994 1.85 . . . . 25.0 115.994 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.6 13.99 19.0 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 112.373 -2.194 . . . . 25.0 110.628 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.56 -35.85 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 122.321 1.058 . . . . 25.0 108.706 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.12 101.28 4.51 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.463 -2.421 . . . . 25.0 104.463 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.88 2.15 0.55 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 116.386 1.995 . . . . 25.0 116.386 -172.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -16.23 54.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 25.0 111.339 171.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.32 70.64 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.229 -0.896 . . . . 25.0 112.982 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -43.47 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.939 0.876 . . . . 25.0 110.987 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.724 -1.125 . . . . 25.0 109.827 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.08 86.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.222 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -61.61 -34.41 75.59 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.136 0.493 . . . . 25.0 110.477 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.57 -39.89 51.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.333 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.84 -36.18 74.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.893 0.378 . . . . 25.0 110.62 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.89 -20.24 65.68 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -87.82 1.82 52.95 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.039 -0.413 . . . . 25.0 111.154 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.99 12.62 73.73 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.119 -0.562 . . . . 25.0 112.307 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.33 164.9 18.68 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.47 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.704 0.801 . . . . 25.0 112.38 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.13 25.92 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 107.648 -2.181 . . . . 25.0 107.648 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.86 168.74 27.45 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 110.089 -1.204 . . . . 25.0 110.089 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -136.88 160.24 39.47 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.388 -0.968 . . . . 25.0 108.388 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.0 m -108.27 129.44 55.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.943 0.402 . . . . 25.0 111.608 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -79.53 162.64 25.26 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.19 1.91 4.58 Favored Glycine 0 C--O 1.218 -0.891 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -111.66 23.12 14.26 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 117.637 0.719 . . . . 25.0 110.974 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.29 29.07 17.27 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.569 1.147 . . . . 25.0 111.19 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -95.28 139.18 19.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.7 126.5 51.84 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -124.75 107.82 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.06 150.26 47.82 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.086 -1.415 . . . . 25.0 109.816 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -88.26 -179.49 6.15 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.4 p30 . . . . . 0 N--CA 1.44 -0.932 0 CA-C-O 118.579 -0.724 . . . . 25.0 110.247 174.613 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 118.568 -0.729 . . . . 25.0 109.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 157.08 30.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.889 0.768 . . . . 25.0 112.721 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -108.99 8.43 26.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.52 1.128 . . . . 25.0 108.789 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -61.82 155.84 22.11 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.315 1.228 . . . . 25.0 114.315 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.72 45.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 123.452 1.596 . . . . 25.0 106.818 172.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.55 -34.63 63.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.561 -2.109 . . . . 25.0 109.974 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 m -87.46 12.55 11.98 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.09 -121.56 7.25 Favored Glycine 0 N--CA 1.442 -0.904 1 N-CA-C 102.407 -4.277 . . . . 25.0 102.407 -166.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.75 157.04 0.42 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 123.527 1.632 . . . . 25.0 114.765 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.86 -1.8 19.73 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 111.812 -2.449 . . . . 25.0 109.223 -168.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.1 -39.23 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 122.561 1.172 . . . . 25.0 109.044 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.72 101.89 8.68 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 104.464 -2.421 . . . . 25.0 104.464 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -62.65 -4.03 1.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.866 1.802 . . . . 25.0 115.866 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -17.11 59.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.462 0.649 . . . . 25.0 111.727 171.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.28 68.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.549 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.575 0.703 . . . . 25.0 111.006 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.626 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.21 88.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.396 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.55 -37.07 82.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 25.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.76 -42.0 64.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 25.0 110.463 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.52 -36.31 73.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.754 0.312 . . . . 25.0 110.711 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.2 -16.64 64.16 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -92.33 2.75 56.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.914 -0.491 . . . . 25.0 110.724 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.27 79.37 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 121.117 -0.563 . . . . 25.0 112.498 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.81 163.25 23.59 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -5.68 28.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.7 -164.95 24.91 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 108.299 -1.92 . . . . 25.0 108.299 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.99 168.29 35.64 Favored Glycine 0 C--O 1.229 -0.202 0 CA-C-N 118.668 1.234 . . . . 25.0 110.757 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -137.02 160.95 37.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 117.91 0.855 . . . . 25.0 109.362 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.9 m -106.21 132.73 51.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -79.3 161.58 26.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 1.01 7.92 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -107.27 20.26 19.2 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 117.298 0.549 . . . . 25.0 110.659 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.58 28.0 16.46 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.711 1.205 . . . . 25.0 111.651 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.12 139.87 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.92 128.41 53.16 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.86 104.63 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.39 151.08 45.6 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.592 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -83.18 174.99 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 118.658 -0.687 . . . . 25.0 109.373 173.59 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.962 -0.542 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -113.47 147.88 37.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.282 0.492 . . . . 25.0 111.799 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.9 t -109.12 1.61 20.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.04 0.936 . . . . 25.0 109.27 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -68.46 155.23 40.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.87 45.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 123.615 1.674 . . . . 25.0 107.169 173.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.89 -32.43 45.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.164 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 m -83.17 11.7 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.291 1.219 . . . . 25.0 114.291 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.82 -120.13 6.08 Favored Glycine 0 N--CA 1.439 -1.102 1 N-CA-C 102.797 -4.121 . . . . 25.0 102.797 -169.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.98 158.27 0.34 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 123.544 1.64 . . . . 25.0 114.715 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.82 11.22 25.12 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 112.067 -2.333 . . . . 25.0 110.482 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.24 -39.22 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.937 0.875 . . . . 25.0 109.418 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -77.98 103.65 8.05 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 104.033 -2.58 . . . . 25.0 104.033 166.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -64.71 3.17 0.55 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.075 1.88 . . . . 25.0 116.075 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -15.43 56.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.534 0.683 . . . . 25.0 111.032 170.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.02 65.84 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.421 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.19 94.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.737 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.51 96.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.004 -0.998 . . . . 25.0 109.515 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.89 85.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.397 -0.82 . . . . 25.0 111.318 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -61.72 -31.48 71.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.038 0.447 . . . . 25.0 110.8 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -80.13 -41.25 25.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.57 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.49 -34.82 71.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.495 -0.321 . . . . 25.0 110.561 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.92 -9.39 29.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.49 7.46 30.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 122.144 -0.347 . . . . 25.0 110.631 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 7.48 86.81 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.03 -0.605 . . . . 25.0 112.848 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.58 161.56 26.91 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -18.06 65.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.77 -165.05 25.97 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.446 -2.261 . . . . 25.0 107.446 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.0 174.06 31.82 Favored Glycine 0 C--O 1.23 -0.103 0 CA-C-N 118.449 1.125 . . . . 25.0 111.449 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -137.06 160.92 37.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.7 m -104.03 137.49 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.897 0.38 . . . . 25.0 111.682 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -92.14 163.19 14.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.0 2.56 3.77 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 117.766 1.866 . . . . 25.0 117.766 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -110.77 23.51 14.09 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 117.995 0.898 . . . . 25.0 110.233 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.13 28.32 18.0 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.536 1.134 . . . . 25.0 111.24 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mt -93.85 138.71 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 106.476 -1.676 . . . . 25.0 106.476 175.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.92 126.98 52.56 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.78 104.72 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -69.6 150.92 46.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.991 -1.459 . . . . 25.0 110.489 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.2 mtt85 -92.35 175.09 6.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 173.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.673 -0.68 . . . . 25.0 109.488 176.372 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.512 -0.756 . . . . 25.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -113.54 158.27 20.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.707 0.685 . . . . 25.0 111.088 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -108.59 0.76 20.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.257 1.023 . . . . 25.0 108.706 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -74.8 160.91 30.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 45.08 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 123.245 1.498 . . . . 25.0 107.596 171.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.51 -33.05 42.44 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.862 -1.972 . . . . 25.0 109.502 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.5 m -86.99 9.32 19.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.932 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.01 -125.62 7.97 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 104.432 -3.467 . . . . 25.0 104.432 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.97 161.88 0.33 Allowed 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 123.276 1.512 . . . . 25.0 114.996 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 14.94 10.99 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 112.493 -2.14 . . . . 25.0 111.551 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.63 -36.1 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.93 0.871 . . . . 25.0 109.941 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -76.41 101.79 5.7 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 165.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -62.76 -1.45 0.87 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.992 1.849 . . . . 25.0 115.992 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -15.39 44.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.591 0.71 . . . . 25.0 111.222 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.83 62.67 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.982 -1.008 . . . . 25.0 112.918 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.08 94.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.936 0.874 . . . . 25.0 111.405 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.1 98.49 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.706 -1.134 . . . . 25.0 109.493 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.06 87.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.507 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -61.7 -34.6 76.06 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.187 0.518 . . . . 25.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.42 -39.88 52.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.899 -0.592 . . . . 25.0 111.252 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.89 -36.05 74.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.793 0.33 . . . . 25.0 110.565 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.54 -20.55 66.29 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.977 0.732 . . . . 25.0 112.977 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -87.5 1.39 53.65 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.01 -0.431 . . . . 25.0 110.917 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.39 10.93 76.33 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.187 -0.53 . . . . 25.0 112.737 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -81.58 164.76 21.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.6 -17.33 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -165.14 26.73 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.17 168.03 30.14 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 109.41 -1.476 . . . . 25.0 109.41 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -137.03 160.91 37.52 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.02 129.73 54.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.937 0.399 . . . . 25.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -80.06 162.69 24.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.297 -1.371 . . . . 25.0 107.297 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 3.21 4.13 Favored Glycine 0 C--O 1.219 -0.804 0 N-CA-C 116.19 1.236 . . . . 25.0 116.19 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -111.21 22.11 15.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 117.529 0.664 . . . . 25.0 111.011 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.02 28.27 17.12 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.444 1.098 . . . . 25.0 111.429 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.18 138.87 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.613 -1.625 . . . . 25.0 106.613 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.43 126.44 51.53 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.835 -1.075 . . . . 25.0 108.14 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.29 105.71 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.46 150.29 47.37 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.288 -1.324 . . . . 25.0 110.102 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 -179.77 6.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 172.595 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 118.749 -0.643 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.49 158.18 24.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.697 0.68 . . . . 25.0 111.235 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -108.92 0.56 20.22 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.464 1.106 . . . . 25.0 108.562 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -66.3 158.36 29.27 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 45.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 123.618 1.675 . . . . 25.0 106.961 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.6 tp -71.53 -31.76 67.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.633 -2.076 . . . . 25.0 109.109 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 11.86 10.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.89 -121.18 6.82 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 103.261 -3.935 . . . . 25.0 103.261 -170.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.96 158.29 0.34 Allowed 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 123.31 1.528 . . . . 25.0 114.832 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.6 14.97 26.14 Favored Glycine 0 C--O 1.226 -0.346 0 CA-C-N 112.461 -2.154 . . . . 25.0 110.021 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.41 -36.38 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 122.293 1.044 . . . . 25.0 110.491 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.57 109.34 11.44 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.882 -2.266 . . . . 25.0 104.882 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -60.92 -5.15 1.22 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -173.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.36 48.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.481 0.658 . . . . 25.0 111.69 172.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.28 -32.59 64.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.241 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -45.02 93.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.753 0.787 . . . . 25.0 110.864 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.96 97.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.404 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.47 87.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.497 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -61.53 -32.36 72.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.074 0.464 . . . . 25.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -79.32 -40.87 29.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.771 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.61 -34.9 71.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.81 0.338 . . . . 25.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.15 -8.84 26.38 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -105.31 6.6 32.89 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.104 -0.373 . . . . 25.0 110.531 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.18 8.05 85.99 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.021 -0.609 . . . . 25.0 112.71 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -78.76 161.91 26.51 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -17.07 64.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.73 -164.93 26.29 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 107.813 -2.115 . . . . 25.0 107.813 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.4 170.97 31.0 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 118.371 1.086 . . . . 25.0 111.306 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -137.04 160.98 37.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.55 136.5 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 25.0 112.092 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.73 162.71 22.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.14 1.28 6.54 Favored Glycine 0 C--O 1.22 -0.761 0 N-CA-C 115.914 1.126 . . . . 25.0 115.914 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.06 23.57 13.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 117.562 0.681 . . . . 25.0 110.988 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.73 27.79 16.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.632 1.173 . . . . 25.0 112.011 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 106.53 -1.656 . . . . 25.0 106.53 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -105.06 128.55 53.38 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.67 106.04 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.58 150.83 45.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -91.0 175.08 7.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 p30 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.525 175.781 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 118.59 -0.719 . . . . 25.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -115.26 158.03 22.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.729 0.695 . . . . 25.0 111.576 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 t -108.48 2.46 22.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.621 1.168 . . . . 25.0 108.952 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.15 160.44 31.21 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 46.32 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.713 1.72 . . . . 25.0 106.965 172.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.5 tp -80.05 -34.64 38.03 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.59 -2.096 . . . . 25.0 109.692 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.48 9.25 16.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -125.06 7.18 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 105.596 -3.001 . . . . 25.0 105.596 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.41 161.7 0.43 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.09 1.515 . . . . 25.0 115.09 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.64 14.86 11.86 Favored Glycine 0 C--N 1.318 -0.44 0 CA-C-N 112.418 -2.174 . . . . 25.0 111.528 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.69 -38.23 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 122.074 0.94 . . . . 25.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.84 105.75 8.09 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 105.051 -2.203 . . . . 25.0 105.051 167.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -62.11 -3.37 1.24 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.816 1.784 . . . . 25.0 115.816 -173.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -15.54 47.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.67 0.748 . . . . 25.0 111.521 171.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.11 65.26 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.154 -0.93 . . . . 25.0 112.719 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.51 95.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.903 0.859 . . . . 25.0 111.206 177.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.11 98.04 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.535 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.02 87.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.908 -1.042 . . . . 25.0 111.434 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -61.77 -34.28 75.6 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.172 0.511 . . . . 25.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -76.5 -40.31 50.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.09 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.72 -36.22 73.94 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.784 0.326 . . . . 25.0 110.702 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -64.0 -20.21 65.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -88.14 1.83 53.47 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 122.045 -0.41 . . . . 25.0 111.091 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.86 12.85 73.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.327 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -84.2 164.9 18.82 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.81 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.531 0.732 . . . . 25.0 112.493 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.05 25.93 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.04 27.85 Favored Glycine 0 CA--C 1.508 -0.346 0 N-CA-C 110.039 -1.224 . . . . 25.0 110.039 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.64 160.74 37.89 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.59 129.64 55.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 25.0 111.498 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.49 162.33 26.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.69 2.56 4.5 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 116.365 1.306 . . . . 25.0 116.365 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -111.88 23.16 14.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 117.592 0.696 . . . . 25.0 110.948 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.48 28.59 16.84 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.529 1.131 . . . . 25.0 111.305 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mt -95.04 139.13 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.801 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.78 126.76 52.18 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.89 107.38 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.08 150.75 47.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.223 -1.353 . . . . 25.0 110.075 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -89.52 -179.71 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 p30 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.333 174.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -119.1 161.31 20.51 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.598 0.635 . . . . 25.0 111.258 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 t -106.98 -0.9 22.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.556 1.143 . . . . 25.0 108.239 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.25 154.4 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 44.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.505 1.621 . . . . 25.0 106.776 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -71.41 -29.5 64.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.739 -2.028 . . . . 25.0 108.857 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -83.74 11.4 7.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.25 -120.07 6.49 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 104.308 -3.517 . . . . 25.0 104.308 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.0 159.59 0.25 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 123.199 1.476 . . . . 25.0 114.363 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.05 15.07 27.11 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 112.752 -2.022 . . . . 25.0 110.498 -170.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.47 -36.8 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.915 0.864 . . . . 25.0 111.672 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.11 112.87 10.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -59.09 -7.95 1.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -13.77 35.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.226 0.536 . . . . 25.0 111.736 171.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.29 64.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.455 0.702 . . . . 25.0 112.008 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.52 91.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.737 0.779 . . . . 25.0 110.714 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.35 99.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 25.0 109.357 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.09 89.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.38 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -61.83 -36.03 79.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.976 0.417 . . . . 25.0 110.026 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.91 -42.03 63.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.623 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.06 -35.4 73.29 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.791 0.329 . . . . 25.0 110.616 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.61 -8.31 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -107.32 7.63 29.32 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.16 -0.337 . . . . 25.0 110.341 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.36 7.35 86.67 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.028 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.01 161.47 26.59 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.54 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.82 -165.01 25.18 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 107.27 -2.332 . . . . 25.0 107.27 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.05 173.47 34.0 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 118.706 1.253 . . . . 25.0 111.645 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -137.03 161.05 37.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.6 m -102.28 135.11 44.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 25.0 111.553 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -81.37 163.35 22.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.03 1.4 6.15 Favored Glycine 0 C--O 1.219 -0.827 0 N-CA-C 115.843 1.097 . . . . 25.0 115.843 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -111.86 22.57 14.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 117.523 0.662 . . . . 25.0 110.98 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.45 25.69 15.31 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.838 1.255 . . . . 25.0 112.266 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.1 141.33 14.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.99 128.58 53.35 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.5 104.39 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -71.7 151.01 43.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.403 -1.271 . . . . 25.0 110.135 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.5 mtt85 -86.04 175.03 8.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 174.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.938 -0.554 . . . . 25.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -117.88 163.01 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.251 0.478 . . . . 25.0 112.09 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 t -109.01 3.08 21.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.619 1.168 . . . . 25.0 108.392 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -64.06 155.43 31.32 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.97 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -69.56 -31.99 70.5 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 112.56 -2.109 . . . . 25.0 109.248 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -83.81 11.41 7.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 115.283 1.586 . . . . 25.0 115.283 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.25 -121.09 6.71 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 103.292 -3.923 . . . . 25.0 103.292 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -49.04 158.57 0.33 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 123.162 1.458 . . . . 25.0 114.672 178.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 14.87 25.71 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 112.62 -2.082 . . . . 25.0 109.783 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -56.13 -35.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.927 0.87 . . . . 25.0 110.746 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -72.42 109.94 6.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.421 -2.066 . . . . 25.0 105.421 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.76 -7.05 2.04 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.941 1.46 . . . . 25.0 114.941 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.83 -13.7 36.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.17 0.51 . . . . 25.0 111.889 171.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.08 67.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.417 0.687 . . . . 25.0 111.648 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -45.12 93.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.768 0.794 . . . . 25.0 111.061 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.55 99.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.566 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.93 88.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.411 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.86 -36.31 80.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 25.0 110.4 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.95 -41.49 64.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.575 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -58.63 -36.32 73.89 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.857 0.36 . . . . 25.0 110.544 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.68 -14.22 62.22 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -94.97 2.96 55.43 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.491 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.56 77.66 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 121.099 -0.572 . . . . 25.0 112.515 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -81.67 164.32 21.89 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -17.53 64.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.179 0.592 . . . . 25.0 112.292 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.34 -164.97 26.48 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.911 -2.075 . . . . 25.0 107.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.56 170.46 32.34 Favored Glycine 0 CA--C 1.512 -0.109 0 CA-C-N 118.452 1.126 . . . . 25.0 111.383 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -137.01 160.91 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -102.72 136.78 41.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.798 0.333 . . . . 25.0 111.247 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.65 163.23 18.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.41 3.53 4.53 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 115.99 1.156 . . . . 25.0 115.99 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.23 18.86 20.61 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 117.338 0.569 . . . . 25.0 110.745 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.8 27.61 16.88 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.508 1.123 . . . . 25.0 111.445 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.98 142.12 14.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.558 -1.645 . . . . 25.0 106.558 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -103.7 128.9 50.99 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -121.86 104.11 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.14 150.44 45.42 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.725 -1.125 . . . . 25.0 109.948 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 175.02 7.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.729 -0.653 . . . . 25.0 109.437 176.619 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.917 -0.563 . . . . 25.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -115.39 159.28 21.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.225 0.536 . . . . 25.0 112.263 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 t -108.95 0.52 20.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.653 1.181 . . . . 25.0 108.521 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.46 155.19 29.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 45.19 1.0 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 123.505 1.621 . . . . 25.0 107.365 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -75.23 -33.62 61.36 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 112.904 -1.953 . . . . 25.0 109.302 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -86.86 11.56 13.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.589 -1.187 . . . . 25.0 114.203 -175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.37 -121.26 6.52 Favored Glycine 0 N--CA 1.441 -1.01 1 N-CA-C 101.63 -4.588 . . . . 25.0 101.63 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.11 158.19 0.38 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 123.612 1.672 . . . . 25.0 114.532 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.39 3.23 24.24 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 111.907 -2.406 . . . . 25.0 109.105 -168.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.13 -38.1 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.167 0.984 . . . . 25.0 109.107 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.38 99.44 5.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 167.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -62.22 -4.43 1.75 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.507 1.669 . . . . 25.0 115.507 -173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -16.09 55.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.268 0.556 . . . . 25.0 111.879 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -37.78 72.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.022 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -44.24 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.757 0.789 . . . . 25.0 111.043 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.1 99.05 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.017 -0.992 . . . . 25.0 109.792 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.79 88.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.248 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -62.39 -30.41 71.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.982 0.42 . . . . 25.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.0 m -80.65 -40.07 26.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.937 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.91 -34.62 71.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.714 0.292 . . . . 25.0 110.331 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.56 -9.04 23.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -105.16 6.39 33.06 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.132 -0.355 . . . . 25.0 110.708 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.96 8.82 85.26 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.997 -0.621 . . . . 25.0 112.758 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.33 161.97 26.82 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -17.19 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.164 0.585 . . . . 25.0 112.247 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.73 -165.03 26.61 Favored Glycine 0 CA--C 1.506 -0.488 0 N-CA-C 107.522 -2.231 . . . . 25.0 107.522 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.97 167.52 28.29 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 110.508 -1.037 . . . . 25.0 110.508 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -137.07 160.93 37.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.46 131.16 53.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.952 0.406 . . . . 25.0 111.192 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.53 163.57 26.18 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.25 -0.48 7.77 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 115.599 0.999 . . . . 25.0 115.599 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -108.21 20.06 19.14 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 117.391 0.596 . . . . 25.0 110.919 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.99 30.38 17.98 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.424 1.09 . . . . 25.0 111.205 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -96.17 140.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 106.517 -1.66 . . . . 25.0 106.517 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -99.98 126.93 46.23 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.26 107.51 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 -175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.89 149.47 47.8 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.592 -1.186 . . . . 25.0 109.93 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -87.54 175.05 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 118.655 -0.688 . . . . 25.0 109.408 175.087 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -115.92 162.54 17.19 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.325 0.511 . . . . 25.0 111.788 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -108.36 0.95 21.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.543 1.137 . . . . 25.0 108.484 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.24 154.04 36.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.76 45.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.639 1.685 . . . . 25.0 107.069 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.2 tp -70.37 -29.45 66.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.674 -2.057 . . . . 25.0 108.358 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -77.96 10.21 3.03 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 116.227 1.936 . . . . 25.0 116.227 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.77 -121.14 6.14 Favored Glycine 0 N--CA 1.439 -1.12 1 N-CA-C 102.996 -4.042 . . . . 25.0 102.996 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.99 157.94 0.37 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-O 123.131 1.443 . . . . 25.0 114.579 178.06 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 15.13 33.06 Favored Glycine 0 C--O 1.222 -0.65 0 CA-C-N 112.808 -1.996 . . . . 25.0 109.915 -168.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -49.79 -37.41 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.005 0.922 . . . . 25.0 113.156 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -76.1 119.14 19.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.433 -1.692 . . . . 25.0 106.433 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -59.06 -6.53 0.86 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -14.03 38.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.157 0.503 . . . . 25.0 111.712 171.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -33.8 66.01 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.402 0.681 . . . . 25.0 111.883 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -45.31 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.815 0.817 . . . . 25.0 110.892 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.4 99.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.98 -1.009 . . . . 25.0 109.394 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.304 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -61.74 -34.14 75.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.141 0.496 . . . . 25.0 110.696 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.2 m -75.91 -42.13 49.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.453 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 mt -58.74 -34.65 71.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.712 0.292 . . . . 25.0 110.603 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.73 -10.21 44.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -102.67 5.82 39.24 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.003 -0.436 . . . . 25.0 110.279 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.35 83.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.031 -0.604 . . . . 25.0 112.727 -176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.35 163.52 24.79 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -17.65 64.65 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.294 0.638 . . . . 25.0 112.527 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.75 -165.02 25.68 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 107.725 -2.15 . . . . 25.0 107.725 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.46 171.3 32.94 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 118.471 1.136 . . . . 25.0 111.532 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.83 161.1 36.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.79 138.17 40.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -85.33 162.96 18.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.52 3.19 4.97 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 116.129 1.212 . . . . 25.0 116.129 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -111.3 22.41 15.2 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 117.562 0.681 . . . . 25.0 110.686 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.96 26.96 16.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.696 1.198 . . . . 25.0 111.761 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.59 141.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.86 129.18 53.24 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.7 t -119.84 102.57 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.79 149.92 44.86 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.727 -1.124 . . . . 25.0 110.226 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -88.69 174.98 7.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.901 -2.259 . . . . 25.0 104.901 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p30 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 118.683 -0.675 . . . . 25.0 109.416 175.064 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -117.53 165.76 13.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 25.0 111.231 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -108.97 0.93 20.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.382 1.073 . . . . 25.0 108.189 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.46 152.85 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.689 -0.687 . . . . 25.0 112.476 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.41 45.07 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.532 1.634 . . . . 25.0 107.214 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -73.17 -29.53 62.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 112.71 -2.041 . . . . 25.0 108.892 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -82.54 11.03 6.15 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.46 -121.42 6.59 Favored Glycine 0 N--CA 1.44 -1.063 1 N-CA-C 102.92 -4.072 . . . . 25.0 102.92 -172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 158.86 0.29 Allowed 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 123.263 1.506 . . . . 25.0 114.268 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 15.1 23.7 Favored Glycine 0 C--N 1.317 -0.511 0 CA-C-N 112.56 -2.109 . . . . 25.0 111.186 -170.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.56 -37.58 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.872 0.844 . . . . 25.0 111.109 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -74.33 115.69 14.13 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -59.95 -5.97 1.16 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -15.09 54.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.277 0.561 . . . . 25.0 111.702 171.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.47 -34.14 68.71 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.062 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.803 0.811 . . . . 25.0 110.312 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.29 99.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.798 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.49 90.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.3 -0.864 . . . . 25.0 111.2 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -63.0 -34.39 77.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 25.0 110.609 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.6 m -73.7 -40.88 63.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.525 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.74 -36.4 74.26 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.76 0.314 . . . . 25.0 110.549 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.21 -19.39 65.95 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -90.03 2.08 55.59 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.981 -0.449 . . . . 25.0 110.814 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.14 12.94 72.55 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.18 -0.533 . . . . 25.0 112.687 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.51 164.95 18.47 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.62 65.46 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.366 0.667 . . . . 25.0 112.465 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.65 -164.98 26.59 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 107.621 -2.192 . . . . 25.0 107.621 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.53 171.83 33.0 Favored Glycine 0 C--O 1.229 -0.159 0 CA-C-N 118.476 1.138 . . . . 25.0 111.375 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -137.08 160.95 37.44 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.04 136.27 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.824 0.345 . . . . 25.0 111.421 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.67 163.41 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.28 3.04 4.74 Favored Glycine 0 C--O 1.218 -0.905 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -109.51 19.39 19.33 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 117.378 0.589 . . . . 25.0 110.738 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.55 27.43 16.23 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.586 1.154 . . . . 25.0 111.874 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 mt -96.64 143.19 12.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.89 130.08 48.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.24 103.62 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.06 150.68 45.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.886 -1.052 . . . . 25.0 110.04 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -90.47 175.04 7.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.239 0.502 0 CA-C-O 118.607 -0.711 . . . . 25.0 110.213 176.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.928 -0.558 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -112.05 159.8 18.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 25.0 112.033 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 t -108.96 2.28 21.25 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.396 1.078 . . . . 25.0 109.246 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -63.63 153.64 35.35 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 45.58 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.631 1.681 . . . . 25.0 106.988 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.42 -31.82 48.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.563 -2.108 . . . . 25.0 109.137 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -87.34 12.48 11.89 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.599 1.333 . . . . 25.0 114.599 -175.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.43 -121.67 7.3 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 104.524 -3.43 . . . . 25.0 104.524 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 9' ' ' THR . 0.3 OUTLIER -48.85 158.58 0.31 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.0 6.73 31.94 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-N 112.233 -2.258 . . . . 25.0 110.311 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.4 -41.73 63.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 122.117 0.96 . . . . 25.0 109.778 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.6 109.24 14.94 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.27 -4.18 1.67 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -14.93 53.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 111.912 172.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -37.0 74.08 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.859 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -44.33 96.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.762 0.791 . . . . 25.0 110.546 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.95 99.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.979 -1.009 . . . . 25.0 109.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.57 87.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.189 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -62.33 -32.42 73.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.986 0.422 . . . . 25.0 110.847 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -78.24 -40.53 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.758 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.77 -34.76 71.81 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.712 0.292 . . . . 25.0 110.419 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.3 mt -66.32 -10.13 39.86 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -102.99 5.23 38.16 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.007 -0.433 . . . . 25.0 110.465 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.9 9.57 82.44 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.774 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -79.25 162.89 25.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -16.92 64.43 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.142 0.577 . . . . 25.0 112.55 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.23 -164.93 26.81 Favored Glycine 0 CA--C 1.507 -0.428 0 N-CA-C 107.457 -2.257 . . . . 25.0 107.457 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 169.25 31.25 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 109.97 -1.252 . . . . 25.0 109.97 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -137.07 160.82 37.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.6 m -106.44 134.17 50.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.19 161.04 27.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.03 0.32 11.77 Favored Glycine 0 C--O 1.218 -0.874 0 N-CA-C 114.287 0.475 . . . . 25.0 114.287 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -104.67 17.97 23.13 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 123.373 0.669 . . . . 25.0 110.585 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.77 28.1 16.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.828 1.251 . . . . 25.0 111.987 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.27 140.99 16.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -101.45 127.2 48.23 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.89 104.32 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.72 150.53 47.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.801 -1.09 . . . . 25.0 110.267 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.34 174.94 7.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.636 -2.357 . . . . 25.0 104.636 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 118.945 -0.55 . . . . 25.0 109.567 176.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -118.19 160.27 21.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.34 0.518 . . . . 25.0 112.263 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.99 1.23 20.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.929 1.292 . . . . 25.0 108.484 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.08 154.72 26.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 45.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.509 1.624 . . . . 25.0 106.783 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.76 -32.67 67.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.469 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -87.33 12.38 12.12 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.814 1.413 . . . . 25.0 114.814 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.95 -121.06 6.79 Favored Glycine 0 N--CA 1.441 -0.978 1 N-CA-C 101.18 -4.768 . . . . 25.0 101.18 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.94 157.89 0.37 Allowed 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 123.526 1.631 . . . . 25.0 114.334 177.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.27 4.37 14.04 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 111.934 -2.393 . . . . 25.0 110.212 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.27 -36.85 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 122.351 1.072 . . . . 25.0 108.561 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -75.83 100.03 4.64 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.282 -2.488 . . . . 25.0 104.282 166.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -62.95 -3.35 1.58 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.103 1.52 . . . . 25.0 115.103 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -15.67 48.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.303 0.573 . . . . 25.0 111.653 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.58 67.78 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.555 -0.748 . . . . 25.0 112.067 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.81 92.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.882 0.849 . . . . 25.0 110.485 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.79 98.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.841 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.71 87.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.298 -0.865 . . . . 25.0 111.192 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -62.06 -33.53 74.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.068 0.461 . . . . 25.0 110.566 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -76.75 -41.09 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.637 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.67 -35.53 72.73 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.805 0.336 . . . . 25.0 110.48 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -67.03 -9.66 41.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -102.52 5.39 39.39 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.026 -0.421 . . . . 25.0 110.291 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.98 82.19 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.018 -0.61 . . . . 25.0 112.873 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.76 163.5 23.45 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -17.48 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -164.95 26.22 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 107.488 -2.245 . . . . 25.0 107.488 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.48 171.73 31.67 Favored Glycine 0 N--CA 1.457 0.058 0 CA-C-N 118.434 1.117 . . . . 25.0 111.309 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -137.06 161.06 37.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -104.49 136.61 43.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.07 164.52 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 173.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.88 -0.33 8.67 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -107.56 19.34 20.33 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.497 0.648 . . . . 25.0 110.846 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.48 29.66 18.5 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.209 1.004 . . . . 25.0 110.982 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.94 143.54 11.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.95 129.35 53.37 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.23 104.37 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.23 150.47 46.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.671 -1.15 . . . . 25.0 110.162 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -89.62 174.82 7.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 173.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 118.753 -0.641 . . . . 25.0 109.738 175.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -116.93 157.2 26.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.69 0.677 . . . . 25.0 112.017 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 t -108.92 7.2 25.91 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.384 1.074 . . . . 25.0 108.64 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.5 154.94 27.1 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.799 1.036 . . . . 25.0 113.799 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.48 45.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 171.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.59 -32.82 71.79 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 112.554 -2.112 . . . . 25.0 109.477 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.17 12.09 8.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.36 -120.07 6.39 Favored Glycine 0 N--CA 1.442 -0.902 1 N-CA-C 102.76 -4.136 . . . . 25.0 102.76 -169.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.92 159.04 0.28 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 123.459 1.599 . . . . 25.0 114.613 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.13 10.97 28.86 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 112.241 -2.254 . . . . 25.0 109.684 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.12 -36.66 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-O 122.307 1.051 . . . . 25.0 108.866 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -77.42 104.91 8.22 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.592 -2.373 . . . . 25.0 104.592 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -62.53 -1.14 0.72 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -15.25 52.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 25.0 111.623 172.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.99 69.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.534 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.96 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.591 0.71 . . . . 25.0 111.008 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.42 97.96 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.542 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.93 88.28 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.133 -0.94 . . . . 25.0 111.427 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -61.93 -35.02 77.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 120.978 0.418 . . . . 25.0 110.627 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -74.02 -42.11 60.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.145 -0.479 . . . . 25.0 110.497 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.8 -35.57 73.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.773 0.321 . . . . 25.0 110.735 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.63 -10.43 45.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -100.61 4.81 43.64 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.086 -0.384 . . . . 25.0 110.549 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.31 82.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.006 -0.616 . . . . 25.0 112.514 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -79.68 162.66 25.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -14.94 61.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.351 0.661 . . . . 25.0 112.627 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.03 25.55 Favored Glycine 0 C--O 1.222 -0.653 0 N-CA-C 107.882 -2.087 . . . . 25.0 107.882 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.61 168.74 30.46 Favored Glycine 0 CA--C 1.51 -0.242 0 CA-C-N 118.214 1.007 . . . . 25.0 110.624 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -136.92 160.83 37.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.2 m -106.76 134.32 50.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.898 0.38 . . . . 25.0 111.791 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -82.2 161.98 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.73 4.03 4.52 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.861 1.104 . . . . 25.0 115.861 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -112.34 23.16 13.94 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 117.521 0.66 . . . . 25.0 110.892 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.53 27.06 16.06 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.718 1.207 . . . . 25.0 111.952 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -95.99 139.64 18.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -105.03 127.83 53.05 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.53 104.26 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 107.147 -1.427 . . . . 25.0 107.147 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.5 m -70.26 149.14 47.75 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.568 -1.196 . . . . 25.0 109.239 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -87.06 175.07 8.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 104.898 -2.26 . . . . 25.0 104.898 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 p30 . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 118.691 -0.671 . . . . 25.0 109.48 175.105 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.786 -0.626 . . . . 25.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 t -117.49 156.07 28.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.0 5.22 24.02 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.613 1.165 . . . . 25.0 109.314 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.65 156.76 22.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.06 44.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 123.512 1.625 . . . . 25.0 107.596 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.45 -30.43 37.56 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 112.755 -2.021 . . . . 25.0 109.764 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -93.54 13.03 23.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.746 -1.115 . . . . 25.0 113.8 -175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.01 -121.52 7.26 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 102.234 -4.346 . . . . 25.0 102.234 -167.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.42 155.6 0.73 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.577 1.656 . . . . 25.0 114.791 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.55 -12.01 6.67 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 111.68 -2.509 . . . . 25.0 108.882 -169.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -54.91 -42.27 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 122.345 1.069 . . . . 25.0 109.377 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -77.43 97.78 5.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 167.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -61.99 -7.89 4.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -18.29 61.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.318 0.58 . . . . 25.0 112.289 172.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.9 78.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.49 98.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.641 0.734 . . . . 25.0 110.635 177.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.36 99.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.222 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.32 88.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.979 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -63.16 -31.54 72.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.89 0.376 . . . . 25.0 111.123 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.3 -40.86 50.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.725 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.81 -35.15 72.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.73 0.3 . . . . 25.0 110.498 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.18 -9.04 28.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -103.63 5.77 36.69 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.06 -0.4 . . . . 25.0 110.722 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.99 7.7 85.09 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.68 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.86 161.63 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -14.48 61.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.13 -164.98 26.09 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 107.782 -2.127 . . . . 25.0 107.782 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.11 167.81 30.1 Favored Glycine 0 C--N 1.323 -0.154 0 CA-C-N 118.467 1.133 . . . . 25.0 111.292 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -137.05 160.93 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m -105.92 133.21 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -81.32 163.34 22.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.71 1.44 5.66 Favored Glycine 0 C--O 1.217 -0.912 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -109.27 20.89 17.78 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.559 0.68 . . . . 25.0 110.614 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.63 30.04 18.43 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.434 1.094 . . . . 25.0 110.971 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mt -96.16 141.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.19 126.52 46.48 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -120.72 103.58 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.1 m -69.69 148.51 49.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.356 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -85.78 175.05 8.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 104.581 -2.377 . . . . 25.0 104.581 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 118.707 -0.664 . . . . 25.0 109.365 175.436 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -112.6 159.43 18.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.6 0.636 . . . . 25.0 111.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.9 t -108.99 0.96 20.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.499 1.12 . . . . 25.0 108.383 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -70.81 157.26 38.4 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.274 1.213 . . . . 25.0 114.274 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 123.491 1.615 . . . . 25.0 107.224 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 tp -71.1 -31.08 67.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.728 -2.033 . . . . 25.0 108.403 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -85.38 11.41 10.35 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.16 -121.1 6.57 Favored Glycine 0 N--CA 1.442 -0.946 1 N-CA-C 102.824 -4.11 . . . . 25.0 102.824 -171.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -49.12 158.89 0.32 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 123.125 1.441 . . . . 25.0 114.57 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.24 15.04 22.72 Favored Glycine 0 C--N 1.32 -0.355 0 CA-C-N 112.781 -2.009 . . . . 25.0 110.545 -170.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.95 -37.34 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.775 0.798 . . . . 25.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.53 109.96 8.43 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -61.71 -5.06 1.7 Allowed 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -14.86 48.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.373 0.606 . . . . 25.0 111.611 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.67 65.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.997 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -45.05 94.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.719 0.771 . . . . 25.0 111.246 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.8 99.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.082 -0.963 . . . . 25.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.87 88.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.527 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.0 -36.27 79.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.174 0.511 . . . . 25.0 110.405 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.88 -41.36 59.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.799 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.68 -35.53 72.74 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.796 0.331 . . . . 25.0 110.594 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.99 -11.09 55.85 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -99.46 4.17 46.0 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.006 -0.433 . . . . 25.0 110.4 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.38 11.46 80.38 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.976 -0.631 . . . . 25.0 112.59 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.95 163.79 23.06 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.145 -1.057 . . . . 25.0 108.145 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.81 64.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.277 0.631 . . . . 25.0 112.315 177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.09 -165.02 26.38 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 107.796 -2.121 . . . . 25.0 107.796 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.45 169.18 31.0 Favored Glycine 0 CA--C 1.511 -0.18 0 CA-C-N 118.324 1.062 . . . . 25.0 111.036 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -136.96 161.1 36.96 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.59 135.42 47.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 25.0 111.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -82.35 162.66 22.14 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.54 2.47 5.88 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.781 1.072 . . . . 25.0 115.781 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -109.98 21.53 16.71 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 117.505 0.653 . . . . 25.0 110.758 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.06 28.11 16.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.469 1.108 . . . . 25.0 111.582 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.96 141.21 15.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.86 128.02 52.9 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.26 105.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.8 m -70.92 149.93 46.23 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.628 -1.169 . . . . 25.0 109.948 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -89.15 175.01 7.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.767 -2.308 . . . . 25.0 104.767 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.77 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.602 -0.714 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 t -116.81 158.23 24.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.777 0.717 . . . . 25.0 111.709 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.7 t -108.99 4.76 23.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.505 1.122 . . . . 25.0 108.704 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.07 151.73 39.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 45.36 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 123.633 1.683 . . . . 25.0 106.629 172.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.0 tp -72.54 -30.59 64.58 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 112.568 -2.106 . . . . 25.0 109.271 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.05 11.87 8.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.73 -120.51 6.79 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 104.642 -3.383 . . . . 25.0 104.642 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -48.88 158.05 0.35 Allowed 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.72 14.97 30.44 Favored Glycine 0 C--N 1.32 -0.332 0 CA-C-N 112.667 -2.061 . . . . 25.0 110.049 -170.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.92 -39.01 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 122.025 0.917 . . . . 25.0 111.038 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.71 115.05 15.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 171.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -61.82 -2.87 0.95 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.773 1.768 . . . . 25.0 115.773 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.09 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.314 0.578 . . . . 25.0 111.379 171.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.3 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.484 -0.78 . . . . 25.0 111.963 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.63 94.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.69 0.757 . . . . 25.0 110.666 177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.61 98.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.048 -0.978 . . . . 25.0 109.517 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.25 87.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.237 -0.892 . . . . 25.0 111.238 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.94 -32.79 73.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.062 0.458 . . . . 25.0 110.695 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.7 m -77.31 -42.79 35.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.205 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.59 -34.58 71.25 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.008 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.14 -13.33 57.86 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.453 0.908 . . . . 25.0 113.453 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -102.17 5.74 40.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.168 -0.333 . . . . 25.0 110.72 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.12 9.23 84.42 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.011 -0.614 . . . . 25.0 112.83 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -78.79 161.6 26.7 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -16.57 63.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.26 -165.02 25.29 Favored Glycine 0 C--O 1.224 -0.52 0 N-CA-C 107.561 -2.215 . . . . 25.0 107.561 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.21 172.05 33.44 Favored Glycine 0 C--O 1.229 -0.156 0 CA-C-N 118.532 1.166 . . . . 25.0 111.611 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -137.08 160.99 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.17 139.66 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.95 162.83 16.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.924 -1.509 . . . . 25.0 106.924 171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -0.78 11.33 Favored Glycine 0 C--O 1.217 -0.964 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -100.15 15.01 28.84 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 117.204 0.502 . . . . 25.0 110.524 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.78 29.56 18.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.382 1.073 . . . . 25.0 111.051 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.5 142.57 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.82 128.34 52.96 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.704 -0.851 . . . . 25.0 108.704 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -116.09 100.96 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 -176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.69 149.68 46.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.716 -1.129 . . . . 25.0 109.458 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 174.89 7.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--O 1.239 0.516 0 CA-C-O 118.712 -0.661 . . . . 25.0 109.7 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -119.5 158.14 26.87 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.695 0.679 . . . . 25.0 112.367 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -108.41 7.3 26.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.651 1.18 . . . . 25.0 108.821 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.46 158.52 29.28 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.259 1.207 . . . . 25.0 114.259 -176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.74 45.52 1.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 123.589 1.662 . . . . 25.0 106.583 173.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.38 -34.9 41.57 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.706 -2.043 . . . . 25.0 111.401 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -89.67 9.47 26.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.98 -125.23 6.56 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 106.463 -2.655 . . . . 25.0 106.463 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.16 160.03 0.25 Allowed 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 115.948 1.833 . . . . 25.0 115.948 178.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 14.02 14.76 Favored Glycine 0 C--N 1.318 -0.447 0 CA-C-N 112.418 -2.174 . . . . 25.0 110.989 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.11 -37.42 61.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 122.4 1.095 . . . . 25.0 108.974 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -76.95 104.61 7.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.776 -2.305 . . . . 25.0 104.776 167.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -62.71 -2.47 1.15 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.051 1.871 . . . . 25.0 116.051 -173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -16.26 52.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.561 0.696 . . . . 25.0 111.623 172.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.64 -38.07 69.04 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.18 -0.918 . . . . 25.0 112.878 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.73 98.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.876 0.846 . . . . 25.0 111.144 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.97 97.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.669 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.2 87.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.237 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -61.91 -34.55 76.25 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.162 0.506 . . . . 25.0 110.52 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -75.59 -40.45 56.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.043 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.71 -36.5 74.35 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.768 0.318 . . . . 25.0 110.705 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.11 -20.21 65.81 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -87.3 1.64 52.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.016 -0.428 . . . . 25.0 111.159 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 12.9 73.37 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.08 -0.581 . . . . 25.0 112.33 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.77 164.97 18.19 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.1 62.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.726 0.81 . . . . 25.0 112.515 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.0 -165.16 25.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 107.809 -2.117 . . . . 25.0 107.809 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.59 169.41 28.47 Favored Glycine 0 CA--C 1.509 -0.305 0 N-CA-C 110.199 -1.16 . . . . 25.0 110.199 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -136.98 160.94 37.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.47 129.46 55.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.94 0.4 . . . . 25.0 111.277 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -80.04 162.6 24.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 173.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.21 1.68 4.81 Favored Glycine 0 C--O 1.218 -0.849 0 N-CA-C 116.416 1.326 . . . . 25.0 116.416 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.38 22.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 117.682 0.741 . . . . 25.0 110.91 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.21 28.4 17.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.532 1.133 . . . . 25.0 111.352 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.02 138.79 20.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.78 126.48 51.9 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.62 106.56 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.09 150.29 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.2 -1.364 . . . . 25.0 109.681 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -88.72 -179.55 6.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 118.518 -0.753 . . . . 25.0 110.254 174.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.656 -0.688 . . . . 25.0 109.434 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -119.93 157.76 28.1 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.743 0.701 . . . . 25.0 112.447 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.81 8.68 26.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.527 1.131 . . . . 25.0 108.746 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.86 156.53 30.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 46.49 1.68 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.771 1.748 . . . . 25.0 106.615 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 tp -79.21 -34.43 42.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 112.423 -2.171 . . . . 25.0 111.01 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -89.06 9.07 26.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -175.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.68 -124.79 6.41 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.944 -2.462 . . . . 25.0 106.944 -174.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.84 160.72 0.42 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 14.65 15.31 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 112.34 -2.209 . . . . 25.0 110.837 -173.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.88 -37.05 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 122.413 1.101 . . . . 25.0 109.254 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -76.04 105.55 7.15 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 104.856 -2.275 . . . . 25.0 104.856 168.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -62.15 -2.05 0.86 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.344 1.979 . . . . 25.0 116.344 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -16.49 55.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.577 0.703 . . . . 25.0 111.584 172.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.25 69.7 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.846 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.21 99.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.939 0.876 . . . . 25.0 111.028 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.11 97.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.778 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.1 86.65 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.009 -0.996 . . . . 25.0 111.088 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -61.85 -34.75 76.53 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.127 0.489 . . . . 25.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.0 -41.12 60.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.887 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.65 -36.55 74.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.884 0.374 . . . . 25.0 110.827 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.0 -20.42 65.89 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -87.69 1.57 53.4 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.069 -0.395 . . . . 25.0 111.171 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.97 12.96 73.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.023 -0.608 . . . . 25.0 112.444 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -85.15 165.03 17.77 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -15.34 60.56 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.67 0.788 . . . . 25.0 112.84 177.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.72 -165.14 25.12 Favored Glycine 0 C--O 1.219 -0.782 0 N-CA-C 107.741 -2.144 . . . . 25.0 107.741 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.66 170.21 29.14 Favored Glycine 0 CA--C 1.51 -0.254 0 CA-C-N 118.167 0.984 . . . . 25.0 110.661 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.04 160.58 38.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.67 130.23 55.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.027 0.441 . . . . 25.0 111.929 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.13 162.9 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.2 0.73 5.83 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 116.629 1.412 . . . . 25.0 116.629 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -110.46 23.1 14.68 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 117.74 0.77 . . . . 25.0 110.895 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.4 28.84 17.06 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.65 1.18 . . . . 25.0 111.318 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mt -94.92 138.5 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.824 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -104.51 126.72 51.86 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.15 -0.932 . . . . 25.0 108.524 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.64 104.74 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.6 m -68.76 150.07 48.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.266 -1.333 . . . . 25.0 109.532 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -88.1 -179.8 6.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.868 -1.901 . . . . 25.0 105.868 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 p30 . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 118.653 -0.689 . . . . 25.0 110.376 175.016 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.682 -0.675 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -115.08 159.68 20.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.553 0.615 . . . . 25.0 111.405 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 t -108.93 1.4 20.71 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.482 1.113 . . . . 25.0 108.506 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -71.57 159.05 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.71 45.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.368 1.556 . . . . 25.0 107.366 171.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.26 -32.18 58.7 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.77 -2.014 . . . . 25.0 108.831 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 m -82.66 8.83 10.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.33 -125.5 8.54 Favored Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 104.161 -3.576 . . . . 25.0 104.161 -173.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.5 161.28 0.33 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 176.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.99 14.94 17.65 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-N 112.62 -2.082 . . . . 25.0 111.082 -170.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.09 -36.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.839 0.828 . . . . 25.0 111.534 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.76 107.17 5.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 168.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -60.53 -3.71 0.74 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -14.78 43.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.471 0.653 . . . . 25.0 111.37 171.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.617 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -44.45 94.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.838 0.828 . . . . 25.0 111.069 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.78 97.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.876 -1.056 . . . . 25.0 109.504 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.19 88.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.318 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -61.93 -34.2 75.65 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 25.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -76.2 -40.32 52.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.142 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.72 -36.07 73.68 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.775 0.322 . . . . 25.0 110.713 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.0 -20.15 65.69 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -88.07 2.04 52.86 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.973 -0.455 . . . . 25.0 111.154 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.58 12.87 74.3 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.157 -0.544 . . . . 25.0 112.403 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -84.09 164.96 18.9 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -18.22 63.41 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.712 0.805 . . . . 25.0 112.343 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.92 -164.96 26.03 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.25 169.49 27.55 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.94 160.8 37.83 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.9 129.59 55.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.048 0.451 . . . . 25.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.15 162.73 26.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.12 2.39 4.04 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 116.692 1.437 . . . . 25.0 116.692 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -113.69 24.66 11.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 117.727 0.763 . . . . 25.0 111.11 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.39 28.98 17.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.575 1.15 . . . . 25.0 111.382 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -95.0 138.94 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.03 126.84 52.5 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.007 -0.997 . . . . 25.0 108.341 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.19 107.6 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.1 m -69.25 150.89 46.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.171 -1.377 . . . . 25.0 110.274 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -89.57 -180.0 5.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 p30 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 118.567 -0.73 . . . . 25.0 110.213 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 118.531 -0.747 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -117.98 156.7 28.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.741 0.7 . . . . 25.0 112.474 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 t -108.67 7.84 26.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.455 1.102 . . . . 25.0 108.856 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.78 158.14 25.7 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.19 45.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 123.581 1.658 . . . . 25.0 107.082 171.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.36 -34.58 55.02 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 112.476 -2.147 . . . . 25.0 110.738 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -88.03 9.27 22.99 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.08 -125.02 7.37 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 105.664 -2.974 . . . . 25.0 105.664 -174.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.57 160.68 0.26 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 115.994 1.85 . . . . 25.0 115.994 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.6 13.99 19.0 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 112.373 -2.194 . . . . 25.0 110.628 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.56 -35.85 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 122.321 1.058 . . . . 25.0 108.706 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.12 101.28 4.51 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.463 -2.421 . . . . 25.0 104.463 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.88 2.15 0.55 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 116.386 1.995 . . . . 25.0 116.386 -172.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -16.23 54.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 25.0 111.339 171.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.32 70.64 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.229 -0.896 . . . . 25.0 112.982 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -43.47 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.939 0.876 . . . . 25.0 110.987 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.724 -1.125 . . . . 25.0 109.827 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.08 86.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.222 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -61.61 -34.41 75.59 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.136 0.493 . . . . 25.0 110.477 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.57 -39.89 51.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.333 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.84 -36.18 74.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.893 0.378 . . . . 25.0 110.62 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.89 -20.24 65.68 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -87.82 1.82 52.95 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.039 -0.413 . . . . 25.0 111.154 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.99 12.62 73.73 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.119 -0.562 . . . . 25.0 112.307 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.33 164.9 18.68 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.47 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.704 0.801 . . . . 25.0 112.38 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.13 25.92 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 107.648 -2.181 . . . . 25.0 107.648 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.86 168.74 27.45 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 110.089 -1.204 . . . . 25.0 110.089 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -136.88 160.24 39.47 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.388 -0.968 . . . . 25.0 108.388 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.0 m -108.27 129.44 55.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.943 0.402 . . . . 25.0 111.608 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -79.53 162.64 25.26 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.19 1.91 4.58 Favored Glycine 0 C--O 1.218 -0.891 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -111.66 23.12 14.26 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 117.637 0.719 . . . . 25.0 110.974 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.29 29.07 17.27 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.569 1.147 . . . . 25.0 111.19 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -95.28 139.18 19.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.7 126.5 51.84 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -124.75 107.82 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.06 150.26 47.82 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.086 -1.415 . . . . 25.0 109.816 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -88.26 -179.49 6.15 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.4 p30 . . . . . 0 N--CA 1.44 -0.932 0 CA-C-O 118.579 -0.724 . . . . 25.0 110.247 174.613 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 118.568 -0.729 . . . . 25.0 109.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 157.08 30.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.889 0.768 . . . . 25.0 112.721 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -108.99 8.43 26.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.52 1.128 . . . . 25.0 108.789 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -61.82 155.84 22.11 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.315 1.228 . . . . 25.0 114.315 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.72 45.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 123.452 1.596 . . . . 25.0 106.818 172.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.55 -34.63 63.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.561 -2.109 . . . . 25.0 109.974 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 m -87.46 12.55 11.98 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.09 -121.56 7.25 Favored Glycine 0 N--CA 1.442 -0.904 1 N-CA-C 102.407 -4.277 . . . . 25.0 102.407 -166.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.75 157.04 0.42 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 123.527 1.632 . . . . 25.0 114.765 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.86 -1.8 19.73 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 111.812 -2.449 . . . . 25.0 109.223 -168.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.1 -39.23 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 122.561 1.172 . . . . 25.0 109.044 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.72 101.89 8.68 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 104.464 -2.421 . . . . 25.0 104.464 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -62.65 -4.03 1.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.866 1.802 . . . . 25.0 115.866 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -17.11 59.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.462 0.649 . . . . 25.0 111.727 171.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.28 68.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.549 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.575 0.703 . . . . 25.0 111.006 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.626 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.21 88.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.396 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.55 -37.07 82.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 25.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.76 -42.0 64.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 25.0 110.463 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.52 -36.31 73.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.754 0.312 . . . . 25.0 110.711 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.2 -16.64 64.16 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -92.33 2.75 56.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.914 -0.491 . . . . 25.0 110.724 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.27 79.37 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 121.117 -0.563 . . . . 25.0 112.498 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.81 163.25 23.59 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -5.68 28.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.7 -164.95 24.91 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 108.299 -1.92 . . . . 25.0 108.299 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.99 168.29 35.64 Favored Glycine 0 C--O 1.229 -0.202 0 CA-C-N 118.668 1.234 . . . . 25.0 110.757 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -137.02 160.95 37.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 117.91 0.855 . . . . 25.0 109.362 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.9 m -106.21 132.73 51.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -79.3 161.58 26.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 1.01 7.92 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -107.27 20.26 19.2 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 117.298 0.549 . . . . 25.0 110.659 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.58 28.0 16.46 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.711 1.205 . . . . 25.0 111.651 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.12 139.87 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.92 128.41 53.16 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.86 104.63 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.39 151.08 45.6 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.592 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -83.18 174.99 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 118.658 -0.687 . . . . 25.0 109.373 173.59 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.962 -0.542 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -113.47 147.88 37.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.282 0.492 . . . . 25.0 111.799 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.9 t -109.12 1.61 20.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.04 0.936 . . . . 25.0 109.27 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -68.46 155.23 40.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.87 45.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 123.615 1.674 . . . . 25.0 107.169 173.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.89 -32.43 45.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.164 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 m -83.17 11.7 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.291 1.219 . . . . 25.0 114.291 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.82 -120.13 6.08 Favored Glycine 0 N--CA 1.439 -1.102 1 N-CA-C 102.797 -4.121 . . . . 25.0 102.797 -169.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.98 158.27 0.34 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 123.544 1.64 . . . . 25.0 114.715 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.82 11.22 25.12 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 112.067 -2.333 . . . . 25.0 110.482 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.24 -39.22 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.937 0.875 . . . . 25.0 109.418 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -77.98 103.65 8.05 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 104.033 -2.58 . . . . 25.0 104.033 166.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -64.71 3.17 0.55 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.075 1.88 . . . . 25.0 116.075 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -15.43 56.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.534 0.683 . . . . 25.0 111.032 170.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.02 65.84 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.421 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.19 94.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.737 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.51 96.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.004 -0.998 . . . . 25.0 109.515 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.89 85.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.397 -0.82 . . . . 25.0 111.318 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -61.72 -31.48 71.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.038 0.447 . . . . 25.0 110.8 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -80.13 -41.25 25.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.57 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.49 -34.82 71.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.495 -0.321 . . . . 25.0 110.561 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.92 -9.39 29.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.49 7.46 30.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 122.144 -0.347 . . . . 25.0 110.631 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 7.48 86.81 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.03 -0.605 . . . . 25.0 112.848 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.58 161.56 26.91 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -18.06 65.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.77 -165.05 25.97 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.446 -2.261 . . . . 25.0 107.446 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.0 174.06 31.82 Favored Glycine 0 C--O 1.23 -0.103 0 CA-C-N 118.449 1.125 . . . . 25.0 111.449 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -137.06 160.92 37.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.7 m -104.03 137.49 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.897 0.38 . . . . 25.0 111.682 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -92.14 163.19 14.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.0 2.56 3.77 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 117.766 1.866 . . . . 25.0 117.766 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -110.77 23.51 14.09 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 117.995 0.898 . . . . 25.0 110.233 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.13 28.32 18.0 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.536 1.134 . . . . 25.0 111.24 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mt -93.85 138.71 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 106.476 -1.676 . . . . 25.0 106.476 175.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.92 126.98 52.56 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.78 104.72 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -69.6 150.92 46.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.991 -1.459 . . . . 25.0 110.489 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.2 mtt85 -92.35 175.09 6.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 173.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.673 -0.68 . . . . 25.0 109.488 176.372 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.512 -0.756 . . . . 25.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -113.54 158.27 20.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.707 0.685 . . . . 25.0 111.088 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -108.59 0.76 20.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.257 1.023 . . . . 25.0 108.706 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -74.8 160.91 30.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 45.08 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 123.245 1.498 . . . . 25.0 107.596 171.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.51 -33.05 42.44 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.862 -1.972 . . . . 25.0 109.502 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.5 m -86.99 9.32 19.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.932 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.01 -125.62 7.97 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 104.432 -3.467 . . . . 25.0 104.432 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.97 161.88 0.33 Allowed 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 123.276 1.512 . . . . 25.0 114.996 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 14.94 10.99 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 112.493 -2.14 . . . . 25.0 111.551 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.63 -36.1 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.93 0.871 . . . . 25.0 109.941 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -76.41 101.79 5.7 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 165.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -62.76 -1.45 0.87 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.992 1.849 . . . . 25.0 115.992 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -15.39 44.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.591 0.71 . . . . 25.0 111.222 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.83 62.67 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.982 -1.008 . . . . 25.0 112.918 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.08 94.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.936 0.874 . . . . 25.0 111.405 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.1 98.49 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.706 -1.134 . . . . 25.0 109.493 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.06 87.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.507 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -61.7 -34.6 76.06 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.187 0.518 . . . . 25.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.42 -39.88 52.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.899 -0.592 . . . . 25.0 111.252 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.89 -36.05 74.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.793 0.33 . . . . 25.0 110.565 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.54 -20.55 66.29 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.977 0.732 . . . . 25.0 112.977 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -87.5 1.39 53.65 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.01 -0.431 . . . . 25.0 110.917 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.39 10.93 76.33 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.187 -0.53 . . . . 25.0 112.737 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -81.58 164.76 21.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.6 -17.33 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -165.14 26.73 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.17 168.03 30.14 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 109.41 -1.476 . . . . 25.0 109.41 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -137.03 160.91 37.52 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.02 129.73 54.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.937 0.399 . . . . 25.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -80.06 162.69 24.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.297 -1.371 . . . . 25.0 107.297 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 3.21 4.13 Favored Glycine 0 C--O 1.219 -0.804 0 N-CA-C 116.19 1.236 . . . . 25.0 116.19 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -111.21 22.11 15.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 117.529 0.664 . . . . 25.0 111.011 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.02 28.27 17.12 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.444 1.098 . . . . 25.0 111.429 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.18 138.87 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.613 -1.625 . . . . 25.0 106.613 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.43 126.44 51.53 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.835 -1.075 . . . . 25.0 108.14 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.29 105.71 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.46 150.29 47.37 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.288 -1.324 . . . . 25.0 110.102 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 -179.77 6.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 172.595 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 118.749 -0.643 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.49 158.18 24.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.697 0.68 . . . . 25.0 111.235 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -108.92 0.56 20.22 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.464 1.106 . . . . 25.0 108.562 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -66.3 158.36 29.27 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 45.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 123.618 1.675 . . . . 25.0 106.961 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.6 tp -71.53 -31.76 67.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.633 -2.076 . . . . 25.0 109.109 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 11.86 10.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.89 -121.18 6.82 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 103.261 -3.935 . . . . 25.0 103.261 -170.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.96 158.29 0.34 Allowed 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 123.31 1.528 . . . . 25.0 114.832 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.6 14.97 26.14 Favored Glycine 0 C--O 1.226 -0.346 0 CA-C-N 112.461 -2.154 . . . . 25.0 110.021 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.41 -36.38 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 122.293 1.044 . . . . 25.0 110.491 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.57 109.34 11.44 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.882 -2.266 . . . . 25.0 104.882 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -60.92 -5.15 1.22 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -173.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.36 48.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.481 0.658 . . . . 25.0 111.69 172.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.28 -32.59 64.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.241 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -45.02 93.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.753 0.787 . . . . 25.0 110.864 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.96 97.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.404 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.47 87.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.497 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -61.53 -32.36 72.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.074 0.464 . . . . 25.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -79.32 -40.87 29.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.771 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.61 -34.9 71.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.81 0.338 . . . . 25.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.15 -8.84 26.38 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -105.31 6.6 32.89 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.104 -0.373 . . . . 25.0 110.531 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.18 8.05 85.99 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.021 -0.609 . . . . 25.0 112.71 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -78.76 161.91 26.51 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -17.07 64.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.73 -164.93 26.29 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 107.813 -2.115 . . . . 25.0 107.813 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.4 170.97 31.0 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 118.371 1.086 . . . . 25.0 111.306 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -137.04 160.98 37.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.55 136.5 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 25.0 112.092 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.73 162.71 22.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.14 1.28 6.54 Favored Glycine 0 C--O 1.22 -0.761 0 N-CA-C 115.914 1.126 . . . . 25.0 115.914 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.06 23.57 13.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 117.562 0.681 . . . . 25.0 110.988 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.73 27.79 16.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.632 1.173 . . . . 25.0 112.011 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 106.53 -1.656 . . . . 25.0 106.53 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -105.06 128.55 53.38 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.67 106.04 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.58 150.83 45.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -91.0 175.08 7.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 p30 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.525 175.781 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 118.59 -0.719 . . . . 25.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -115.26 158.03 22.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.729 0.695 . . . . 25.0 111.576 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 t -108.48 2.46 22.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.621 1.168 . . . . 25.0 108.952 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.15 160.44 31.21 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 46.32 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.713 1.72 . . . . 25.0 106.965 172.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.5 tp -80.05 -34.64 38.03 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.59 -2.096 . . . . 25.0 109.692 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.48 9.25 16.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -125.06 7.18 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 105.596 -3.001 . . . . 25.0 105.596 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.41 161.7 0.43 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.09 1.515 . . . . 25.0 115.09 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.64 14.86 11.86 Favored Glycine 0 C--N 1.318 -0.44 0 CA-C-N 112.418 -2.174 . . . . 25.0 111.528 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.69 -38.23 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 122.074 0.94 . . . . 25.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.84 105.75 8.09 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 105.051 -2.203 . . . . 25.0 105.051 167.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -62.11 -3.37 1.24 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.816 1.784 . . . . 25.0 115.816 -173.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -15.54 47.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.67 0.748 . . . . 25.0 111.521 171.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.11 65.26 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.154 -0.93 . . . . 25.0 112.719 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.51 95.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.903 0.859 . . . . 25.0 111.206 177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.11 98.04 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.535 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.02 87.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.908 -1.042 . . . . 25.0 111.434 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -61.77 -34.28 75.6 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.172 0.511 . . . . 25.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -76.5 -40.31 50.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.09 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.72 -36.22 73.94 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.784 0.326 . . . . 25.0 110.702 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -64.0 -20.21 65.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -88.14 1.83 53.47 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 122.045 -0.41 . . . . 25.0 111.091 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.86 12.85 73.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.327 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -84.2 164.9 18.82 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.81 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.531 0.732 . . . . 25.0 112.493 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.05 25.93 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.04 27.85 Favored Glycine 0 CA--C 1.508 -0.346 0 N-CA-C 110.039 -1.224 . . . . 25.0 110.039 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.64 160.74 37.89 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.59 129.64 55.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 25.0 111.498 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.49 162.33 26.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.69 2.56 4.5 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 116.365 1.306 . . . . 25.0 116.365 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -111.88 23.16 14.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 117.592 0.696 . . . . 25.0 110.948 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.48 28.59 16.84 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.529 1.131 . . . . 25.0 111.305 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mt -95.04 139.13 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.801 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.78 126.76 52.18 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.89 107.38 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.08 150.75 47.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.223 -1.353 . . . . 25.0 110.075 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -89.52 -179.71 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 p30 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.333 174.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -119.1 161.31 20.51 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.598 0.635 . . . . 25.0 111.258 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 t -106.98 -0.9 22.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.556 1.143 . . . . 25.0 108.239 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.25 154.4 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.36 44.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.505 1.621 . . . . 25.0 106.776 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -71.41 -29.5 64.98 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 112.739 -2.028 . . . . 25.0 108.857 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -83.74 11.4 7.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.25 -120.07 6.49 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 104.308 -3.517 . . . . 25.0 104.308 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.0 159.59 0.25 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 123.199 1.476 . . . . 25.0 114.363 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.05 15.07 27.11 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 112.752 -2.022 . . . . 25.0 110.498 -170.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.47 -36.8 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.915 0.864 . . . . 25.0 111.672 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.11 112.87 10.68 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.615 -1.995 . . . . 25.0 105.615 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -59.09 -7.95 1.33 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -13.77 35.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.226 0.536 . . . . 25.0 111.736 171.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.29 64.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.455 0.702 . . . . 25.0 112.008 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.52 91.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.737 0.779 . . . . 25.0 110.714 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.35 99.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 25.0 109.357 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.09 89.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.38 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -61.83 -36.03 79.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.976 0.417 . . . . 25.0 110.026 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.9 m -72.91 -42.03 63.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.623 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -59.06 -35.4 73.29 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.791 0.329 . . . . 25.0 110.616 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.61 -8.31 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -107.32 7.63 29.32 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.16 -0.337 . . . . 25.0 110.341 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.36 7.35 86.67 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.082 -0.58 . . . . 25.0 113.028 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.01 161.47 26.59 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.54 57.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.82 -165.01 25.18 Favored Glycine 0 C--O 1.224 -0.519 0 N-CA-C 107.27 -2.332 . . . . 25.0 107.27 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.05 173.47 34.0 Favored Glycine 0 C--N 1.323 -0.161 0 CA-C-N 118.706 1.253 . . . . 25.0 111.645 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -137.03 161.05 37.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.6 m -102.28 135.11 44.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 25.0 111.553 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -81.37 163.35 22.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.03 1.4 6.15 Favored Glycine 0 C--O 1.219 -0.827 0 N-CA-C 115.843 1.097 . . . . 25.0 115.843 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -111.86 22.57 14.78 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 117.523 0.662 . . . . 25.0 110.98 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.45 25.69 15.31 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.838 1.255 . . . . 25.0 112.266 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.1 141.33 14.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 106.105 -1.813 . . . . 25.0 106.105 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.99 128.58 53.35 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.5 104.39 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -71.7 151.01 43.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.403 -1.271 . . . . 25.0 110.135 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.5 mtt85 -86.04 175.03 8.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 174.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.938 -0.554 . . . . 25.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -117.88 163.01 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 118.251 0.478 . . . . 25.0 112.09 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.9 t -109.01 3.08 21.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.619 1.168 . . . . 25.0 108.392 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -64.06 155.43 31.32 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.97 45.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.384 -1.71 . . . . 25.0 106.384 171.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -69.56 -31.99 70.5 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 112.56 -2.109 . . . . 25.0 109.248 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -83.81 11.41 7.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 115.283 1.586 . . . . 25.0 115.283 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.25 -121.09 6.71 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 103.292 -3.923 . . . . 25.0 103.292 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -49.04 158.57 0.33 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 123.162 1.458 . . . . 25.0 114.672 178.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 14.87 25.71 Favored Glycine 0 C--O 1.225 -0.416 0 CA-C-N 112.62 -2.082 . . . . 25.0 109.783 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -56.13 -35.19 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.927 0.87 . . . . 25.0 110.746 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -72.42 109.94 6.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 105.421 -2.066 . . . . 25.0 105.421 169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.76 -7.05 2.04 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.941 1.46 . . . . 25.0 114.941 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.83 -13.7 36.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.17 0.51 . . . . 25.0 111.889 171.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.08 67.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.417 0.687 . . . . 25.0 111.648 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -45.12 93.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.768 0.794 . . . . 25.0 111.061 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.55 99.62 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.566 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.93 88.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.411 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.86 -36.31 80.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 25.0 110.4 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.95 -41.49 64.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.575 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -58.63 -36.32 73.89 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.857 0.36 . . . . 25.0 110.544 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.68 -14.22 62.22 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -94.97 2.96 55.43 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.875 -0.516 . . . . 25.0 110.491 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.56 77.66 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 121.099 -0.572 . . . . 25.0 112.515 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -81.67 164.32 21.89 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 108.224 -1.028 . . . . 25.0 108.224 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -17.53 64.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.179 0.592 . . . . 25.0 112.292 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.34 -164.97 26.48 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.911 -2.075 . . . . 25.0 107.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.56 170.46 32.34 Favored Glycine 0 CA--C 1.512 -0.109 0 CA-C-N 118.452 1.126 . . . . 25.0 111.383 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -137.01 160.91 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -102.72 136.78 41.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.798 0.333 . . . . 25.0 111.247 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.65 163.23 18.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.41 3.53 4.53 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 115.99 1.156 . . . . 25.0 115.99 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -108.23 18.86 20.61 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 117.338 0.569 . . . . 25.0 110.745 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.8 27.61 16.88 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.508 1.123 . . . . 25.0 111.445 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.98 142.12 14.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.558 -1.645 . . . . 25.0 106.558 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -103.7 128.9 50.99 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.2 t -121.86 104.11 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.14 150.44 45.42 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.725 -1.125 . . . . 25.0 109.948 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 175.02 7.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.729 -0.653 . . . . 25.0 109.437 176.619 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.917 -0.563 . . . . 25.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -115.39 159.28 21.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.225 0.536 . . . . 25.0 112.263 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 t -108.95 0.52 20.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.653 1.181 . . . . 25.0 108.521 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.46 155.19 29.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 45.19 1.0 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 123.505 1.621 . . . . 25.0 107.365 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -75.23 -33.62 61.36 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 112.904 -1.953 . . . . 25.0 109.302 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 m -86.86 11.56 13.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.589 -1.187 . . . . 25.0 114.203 -175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.37 -121.26 6.52 Favored Glycine 0 N--CA 1.441 -1.01 1 N-CA-C 101.63 -4.588 . . . . 25.0 101.63 -167.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.11 158.19 0.38 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 123.612 1.672 . . . . 25.0 114.532 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.39 3.23 24.24 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 111.907 -2.406 . . . . 25.0 109.105 -168.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.13 -38.1 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 122.167 0.984 . . . . 25.0 109.107 176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.38 99.44 5.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 167.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -62.22 -4.43 1.75 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.507 1.669 . . . . 25.0 115.507 -173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -16.09 55.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.268 0.556 . . . . 25.0 111.879 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -37.78 72.39 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.022 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -44.24 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.757 0.789 . . . . 25.0 111.043 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.1 99.05 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.017 -0.992 . . . . 25.0 109.792 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.79 88.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.248 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -62.39 -30.41 71.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.982 0.42 . . . . 25.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.0 m -80.65 -40.07 26.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.119 -0.491 . . . . 25.0 110.937 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.91 -34.62 71.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.714 0.292 . . . . 25.0 110.331 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.56 -9.04 23.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -105.16 6.39 33.06 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.132 -0.355 . . . . 25.0 110.708 176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.96 8.82 85.26 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.997 -0.621 . . . . 25.0 112.758 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -78.33 161.97 26.82 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -17.19 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.164 0.585 . . . . 25.0 112.247 177.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.73 -165.03 26.61 Favored Glycine 0 CA--C 1.506 -0.488 0 N-CA-C 107.522 -2.231 . . . . 25.0 107.522 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.97 167.52 28.29 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 110.508 -1.037 . . . . 25.0 110.508 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -137.07 160.93 37.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.6 m -106.46 131.16 53.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.952 0.406 . . . . 25.0 111.192 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -77.53 163.57 26.18 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.155 -1.424 . . . . 25.0 107.155 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.25 -0.48 7.77 Favored Glycine 0 C--O 1.218 -0.882 0 N-CA-C 115.599 0.999 . . . . 25.0 115.599 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -108.21 20.06 19.14 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 117.391 0.596 . . . . 25.0 110.919 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.99 30.38 17.98 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.424 1.09 . . . . 25.0 111.205 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -96.17 140.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 106.517 -1.66 . . . . 25.0 106.517 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -99.98 126.93 46.23 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.26 107.51 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 -175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.89 149.47 47.8 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.592 -1.186 . . . . 25.0 109.93 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -87.54 175.05 8.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 118.655 -0.688 . . . . 25.0 109.408 175.087 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 t -115.92 162.54 17.19 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.325 0.511 . . . . 25.0 111.788 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -108.36 0.95 21.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.543 1.137 . . . . 25.0 108.484 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.24 154.04 36.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.025 1.12 . . . . 25.0 114.025 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.76 45.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.639 1.685 . . . . 25.0 107.069 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.2 tp -70.37 -29.45 66.12 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.674 -2.057 . . . . 25.0 108.358 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m -77.96 10.21 3.03 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 116.227 1.936 . . . . 25.0 116.227 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.77 -121.14 6.14 Favored Glycine 0 N--CA 1.439 -1.12 1 N-CA-C 102.996 -4.042 . . . . 25.0 102.996 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.99 157.94 0.37 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-O 123.131 1.443 . . . . 25.0 114.579 178.06 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 15.13 33.06 Favored Glycine 0 C--O 1.222 -0.65 0 CA-C-N 112.808 -1.996 . . . . 25.0 109.915 -168.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -49.79 -37.41 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.005 0.922 . . . . 25.0 113.156 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -76.1 119.14 19.62 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.433 -1.692 . . . . 25.0 106.433 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -59.06 -6.53 0.86 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -14.03 38.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.157 0.503 . . . . 25.0 111.712 171.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -33.8 66.01 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 123.402 0.681 . . . . 25.0 111.883 175.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -45.31 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.815 0.817 . . . . 25.0 110.892 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.4 99.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.98 -1.009 . . . . 25.0 109.394 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.304 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -61.74 -34.14 75.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.141 0.496 . . . . 25.0 110.696 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.2 m -75.91 -42.13 49.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.453 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 mt -58.74 -34.65 71.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.712 0.292 . . . . 25.0 110.603 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.73 -10.21 44.51 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.58 0.956 . . . . 25.0 113.58 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -102.67 5.82 39.24 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.003 -0.436 . . . . 25.0 110.279 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.35 83.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.031 -0.604 . . . . 25.0 112.727 -176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -79.35 163.52 24.79 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -17.65 64.65 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.294 0.638 . . . . 25.0 112.527 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.75 -165.02 25.68 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 107.725 -2.15 . . . . 25.0 107.725 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.46 171.3 32.94 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 118.471 1.136 . . . . 25.0 111.532 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.83 161.1 36.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.79 138.17 40.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -85.33 162.96 18.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.52 3.19 4.97 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 116.129 1.212 . . . . 25.0 116.129 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -111.3 22.41 15.2 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 117.562 0.681 . . . . 25.0 110.686 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.96 26.96 16.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.696 1.198 . . . . 25.0 111.761 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.59 141.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 106.538 -1.652 . . . . 25.0 106.538 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.86 129.18 53.24 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.7 t -119.84 102.57 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.79 149.92 44.86 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.727 -1.124 . . . . 25.0 110.226 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -88.69 174.98 7.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 104.901 -2.259 . . . . 25.0 104.901 172.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p30 . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 118.683 -0.675 . . . . 25.0 109.416 175.064 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -117.53 165.76 13.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 25.0 111.231 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -108.97 0.93 20.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.382 1.073 . . . . 25.0 108.189 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -64.46 152.85 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.689 -0.687 . . . . 25.0 112.476 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.41 45.07 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.532 1.634 . . . . 25.0 107.214 172.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.0 tp -73.17 -29.53 62.91 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 112.71 -2.041 . . . . 25.0 108.892 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -82.54 11.03 6.15 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.888 1.44 . . . . 25.0 114.888 -176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.46 -121.42 6.59 Favored Glycine 0 N--CA 1.44 -1.063 1 N-CA-C 102.92 -4.072 . . . . 25.0 102.92 -172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 158.86 0.29 Allowed 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 123.263 1.506 . . . . 25.0 114.268 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 15.1 23.7 Favored Glycine 0 C--N 1.317 -0.511 0 CA-C-N 112.56 -2.109 . . . . 25.0 111.186 -170.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.56 -37.58 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.872 0.844 . . . . 25.0 111.109 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -74.33 115.69 14.13 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 170.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -59.95 -5.97 1.16 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -15.09 54.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.277 0.561 . . . . 25.0 111.702 171.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.47 -34.14 68.71 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.062 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.803 0.811 . . . . 25.0 110.312 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.29 99.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.798 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.49 90.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.3 -0.864 . . . . 25.0 111.2 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -63.0 -34.39 77.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.938 0.399 . . . . 25.0 110.609 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.6 m -73.7 -40.88 63.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.525 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.74 -36.4 74.26 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.76 0.314 . . . . 25.0 110.549 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.21 -19.39 65.95 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -90.03 2.08 55.59 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.981 -0.449 . . . . 25.0 110.814 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.14 12.94 72.55 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.18 -0.533 . . . . 25.0 112.687 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.51 164.95 18.47 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.62 65.46 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.366 0.667 . . . . 25.0 112.465 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.65 -164.98 26.59 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 107.621 -2.192 . . . . 25.0 107.621 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.53 171.83 33.0 Favored Glycine 0 C--O 1.229 -0.159 0 CA-C-N 118.476 1.138 . . . . 25.0 111.375 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -137.08 160.95 37.44 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.04 136.27 42.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.824 0.345 . . . . 25.0 111.421 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -82.67 163.41 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 172.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.28 3.04 4.74 Favored Glycine 0 C--O 1.218 -0.905 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -109.51 19.39 19.33 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 117.378 0.589 . . . . 25.0 110.738 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.55 27.43 16.23 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.586 1.154 . . . . 25.0 111.874 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 mt -96.64 143.19 12.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.89 130.08 48.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.24 103.62 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.06 150.68 45.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.886 -1.052 . . . . 25.0 110.04 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -90.47 175.04 7.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 104.484 -2.413 . . . . 25.0 104.484 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 p30 . . . . . 0 C--O 1.239 0.502 0 CA-C-O 118.607 -0.711 . . . . 25.0 110.213 176.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.928 -0.558 . . . . 25.0 109.614 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -112.05 159.8 18.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 25.0 112.033 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 t -108.96 2.28 21.25 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.396 1.078 . . . . 25.0 109.246 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -63.63 153.64 35.35 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 45.58 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.631 1.681 . . . . 25.0 106.988 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.6 tp -78.42 -31.82 48.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.563 -2.108 . . . . 25.0 109.137 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -87.34 12.48 11.89 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.599 1.333 . . . . 25.0 114.599 -175.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.43 -121.67 7.3 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 104.524 -3.43 . . . . 25.0 104.524 -168.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 9' ' ' THR . 0.3 OUTLIER -48.85 158.58 0.31 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 115.254 1.576 . . . . 25.0 115.254 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.0 6.73 31.94 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-N 112.233 -2.258 . . . . 25.0 110.311 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.4 -41.73 63.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 122.117 0.96 . . . . 25.0 109.778 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.6 109.24 14.94 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.27 -4.18 1.67 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.303 1.594 . . . . 25.0 115.303 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -14.93 53.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 111.912 172.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -37.0 74.08 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.009 -0.541 . . . . 25.0 111.859 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -44.33 96.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.762 0.791 . . . . 25.0 110.546 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.95 99.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.979 -1.009 . . . . 25.0 109.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.57 87.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.189 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -62.33 -32.42 73.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.986 0.422 . . . . 25.0 110.847 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -78.24 -40.53 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.758 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.77 -34.76 71.81 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.712 0.292 . . . . 25.0 110.419 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.3 mt -66.32 -10.13 39.86 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.648 0.981 . . . . 25.0 113.648 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -102.99 5.23 38.16 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.007 -0.433 . . . . 25.0 110.465 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.9 9.57 82.44 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.774 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -79.25 162.89 25.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -16.92 64.43 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.142 0.577 . . . . 25.0 112.55 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.23 -164.93 26.81 Favored Glycine 0 CA--C 1.507 -0.428 0 N-CA-C 107.457 -2.257 . . . . 25.0 107.457 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 169.25 31.25 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 109.97 -1.252 . . . . 25.0 109.97 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -137.07 160.82 37.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.6 m -106.44 134.17 50.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.19 161.04 27.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.691 -1.596 . . . . 25.0 106.691 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.03 0.32 11.77 Favored Glycine 0 C--O 1.218 -0.874 0 N-CA-C 114.287 0.475 . . . . 25.0 114.287 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -104.67 17.97 23.13 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 123.373 0.669 . . . . 25.0 110.585 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.77 28.1 16.34 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.828 1.251 . . . . 25.0 111.987 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.27 140.99 16.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -101.45 127.2 48.23 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.89 104.32 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.72 150.53 47.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.801 -1.09 . . . . 25.0 110.267 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.34 174.94 7.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.636 -2.357 . . . . 25.0 104.636 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 118.945 -0.55 . . . . 25.0 109.567 176.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -118.19 160.27 21.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.34 0.518 . . . . 25.0 112.263 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.99 1.23 20.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.929 1.292 . . . . 25.0 108.484 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.08 154.72 26.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 45.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.509 1.624 . . . . 25.0 106.783 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -71.76 -32.67 67.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.469 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -87.33 12.38 12.12 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.814 1.413 . . . . 25.0 114.814 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.95 -121.06 6.79 Favored Glycine 0 N--CA 1.441 -0.978 1 N-CA-C 101.18 -4.768 . . . . 25.0 101.18 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.94 157.89 0.37 Allowed 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 123.526 1.631 . . . . 25.0 114.334 177.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.27 4.37 14.04 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 111.934 -2.393 . . . . 25.0 110.212 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.27 -36.85 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 122.351 1.072 . . . . 25.0 108.561 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -75.83 100.03 4.64 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.282 -2.488 . . . . 25.0 104.282 166.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -62.95 -3.35 1.58 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.103 1.52 . . . . 25.0 115.103 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -15.67 48.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.303 0.573 . . . . 25.0 111.653 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.58 67.78 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.555 -0.748 . . . . 25.0 112.067 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -44.81 92.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.882 0.849 . . . . 25.0 110.485 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.79 98.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.841 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.71 87.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.298 -0.865 . . . . 25.0 111.192 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -62.06 -33.53 74.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.068 0.461 . . . . 25.0 110.566 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -76.75 -41.09 46.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.637 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -58.67 -35.53 72.73 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.805 0.336 . . . . 25.0 110.48 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 mt -67.03 -9.66 41.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -102.52 5.39 39.39 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.026 -0.421 . . . . 25.0 110.291 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.98 82.19 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.018 -0.61 . . . . 25.0 112.873 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.76 163.5 23.45 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -17.48 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.51 -164.95 26.22 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 107.488 -2.245 . . . . 25.0 107.488 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.48 171.73 31.67 Favored Glycine 0 N--CA 1.457 0.058 0 CA-C-N 118.434 1.117 . . . . 25.0 111.309 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -137.06 161.06 37.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -104.49 136.61 43.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.07 164.52 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.545 -1.28 . . . . 25.0 107.545 173.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.88 -0.33 8.67 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -107.56 19.34 20.33 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.497 0.648 . . . . 25.0 110.846 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.48 29.66 18.5 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 124.209 1.004 . . . . 25.0 110.982 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.7 mt -94.94 143.54 11.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 105.851 -1.907 . . . . 25.0 105.851 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.95 129.35 53.37 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.23 104.37 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.143 -1.429 . . . . 25.0 107.143 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.23 150.47 46.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.671 -1.15 . . . . 25.0 110.162 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -89.62 174.82 7.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 173.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 118.753 -0.641 . . . . 25.0 109.738 175.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.5 t -116.93 157.2 26.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 118.69 0.677 . . . . 25.0 112.017 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 t -108.92 7.2 25.91 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.384 1.074 . . . . 25.0 108.64 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.5 154.94 27.1 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.799 1.036 . . . . 25.0 113.799 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.48 45.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 171.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -69.59 -32.82 71.79 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 112.554 -2.112 . . . . 25.0 109.477 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.17 12.09 8.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.36 -120.07 6.39 Favored Glycine 0 N--CA 1.442 -0.902 1 N-CA-C 102.76 -4.136 . . . . 25.0 102.76 -169.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -48.92 159.04 0.28 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 123.459 1.599 . . . . 25.0 114.613 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.13 10.97 28.86 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 112.241 -2.254 . . . . 25.0 109.684 -169.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.12 -36.66 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-O 122.307 1.051 . . . . 25.0 108.866 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -77.42 104.91 8.22 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.592 -2.373 . . . . 25.0 104.592 167.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -62.53 -1.14 0.72 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -172.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -15.25 52.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 25.0 111.623 172.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.99 69.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.534 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.96 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.591 0.71 . . . . 25.0 111.008 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.42 97.96 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.542 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.93 88.28 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.133 -0.94 . . . . 25.0 111.427 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -61.93 -35.02 77.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 120.978 0.418 . . . . 25.0 110.627 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.7 m -74.02 -42.11 60.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.145 -0.479 . . . . 25.0 110.497 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.8 -35.57 73.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.773 0.321 . . . . 25.0 110.735 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.4 mt -66.63 -10.43 45.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -100.61 4.81 43.64 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.086 -0.384 . . . . 25.0 110.549 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.31 82.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.006 -0.616 . . . . 25.0 112.514 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -79.68 162.66 25.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -14.94 61.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.351 0.661 . . . . 25.0 112.627 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.28 -165.03 25.55 Favored Glycine 0 C--O 1.222 -0.653 0 N-CA-C 107.882 -2.087 . . . . 25.0 107.882 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.61 168.74 30.46 Favored Glycine 0 CA--C 1.51 -0.242 0 CA-C-N 118.214 1.007 . . . . 25.0 110.624 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -136.92 160.83 37.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.2 m -106.76 134.32 50.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.898 0.38 . . . . 25.0 111.791 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -82.2 161.98 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.73 4.03 4.52 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.861 1.104 . . . . 25.0 115.861 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -112.34 23.16 13.94 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 117.521 0.66 . . . . 25.0 110.892 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.53 27.06 16.06 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.718 1.207 . . . . 25.0 111.952 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 mt -95.99 139.64 18.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -105.03 127.83 53.05 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.53 104.26 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 107.147 -1.427 . . . . 25.0 107.147 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.5 m -70.26 149.14 47.75 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.568 -1.196 . . . . 25.0 109.239 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -87.06 175.07 8.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 104.898 -2.26 . . . . 25.0 104.898 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 p30 . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 118.691 -0.671 . . . . 25.0 109.48 175.105 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.786 -0.626 . . . . 25.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 t -117.49 156.07 28.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.4 t -109.0 5.22 24.02 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.613 1.165 . . . . 25.0 109.314 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.65 156.76 22.55 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.06 44.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 123.512 1.625 . . . . 25.0 107.596 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.45 -30.43 37.56 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 112.755 -2.021 . . . . 25.0 109.764 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -93.54 13.03 23.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.746 -1.115 . . . . 25.0 113.8 -175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.01 -121.52 7.26 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 102.234 -4.346 . . . . 25.0 102.234 -167.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -49.42 155.6 0.73 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.577 1.656 . . . . 25.0 114.791 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.55 -12.01 6.67 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 111.68 -2.509 . . . . 25.0 108.882 -169.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -54.91 -42.27 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 122.345 1.069 . . . . 25.0 109.377 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -77.43 97.78 5.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 104.206 -2.516 . . . . 25.0 104.206 167.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -61.99 -7.89 4.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -18.29 61.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.318 0.58 . . . . 25.0 112.289 172.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.9 78.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.49 98.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.641 0.734 . . . . 25.0 110.635 177.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.36 99.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.222 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.32 88.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.366 -0.834 . . . . 25.0 110.979 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -63.16 -31.54 72.71 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.89 0.376 . . . . 25.0 111.123 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.3 -40.86 50.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.283 -0.417 . . . . 25.0 110.725 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.81 -35.15 72.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.73 0.3 . . . . 25.0 110.498 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.18 -9.04 28.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.746 1.017 . . . . 25.0 113.746 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -103.63 5.77 36.69 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.06 -0.4 . . . . 25.0 110.722 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.99 7.7 85.09 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.68 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.86 161.63 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -14.48 61.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 178.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.13 -164.98 26.09 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 107.782 -2.127 . . . . 25.0 107.782 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.11 167.81 30.1 Favored Glycine 0 C--N 1.323 -0.154 0 CA-C-N 118.467 1.133 . . . . 25.0 111.292 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -137.05 160.93 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m -105.92 133.21 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.076 0.398 . . . . 25.0 112.076 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -81.32 163.34 22.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.71 1.44 5.66 Favored Glycine 0 C--O 1.217 -0.912 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -109.27 20.89 17.78 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 117.559 0.68 . . . . 25.0 110.614 175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.63 30.04 18.43 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 124.434 1.094 . . . . 25.0 110.971 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mt -96.16 141.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.19 126.52 46.48 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -120.72 103.58 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.1 m -69.69 148.51 49.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.746 -1.116 . . . . 25.0 109.356 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -85.78 175.05 8.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 104.581 -2.377 . . . . 25.0 104.581 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.9 p30 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 118.707 -0.664 . . . . 25.0 109.365 175.436 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 118.685 -0.674 . . . . 25.0 109.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -112.6 159.43 18.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.6 0.636 . . . . 25.0 111.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.9 t -108.99 0.96 20.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.499 1.12 . . . . 25.0 108.383 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -70.81 157.26 38.4 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.274 1.213 . . . . 25.0 114.274 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 123.491 1.615 . . . . 25.0 107.224 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 tp -71.1 -31.08 67.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.728 -2.033 . . . . 25.0 108.403 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -85.38 11.41 10.35 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.16 -121.1 6.57 Favored Glycine 0 N--CA 1.442 -0.946 1 N-CA-C 102.824 -4.11 . . . . 25.0 102.824 -171.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -49.12 158.89 0.32 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 123.125 1.441 . . . . 25.0 114.57 178.003 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.24 15.04 22.72 Favored Glycine 0 C--N 1.32 -0.355 0 CA-C-N 112.781 -2.009 . . . . 25.0 110.545 -170.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -54.95 -37.34 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.775 0.798 . . . . 25.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.53 109.96 8.43 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 169.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -61.71 -5.06 1.7 Allowed 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -14.86 48.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.373 0.606 . . . . 25.0 111.611 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.67 65.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.997 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -45.05 94.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.719 0.771 . . . . 25.0 111.246 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.8 99.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.082 -0.963 . . . . 25.0 109.386 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.87 88.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.527 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.0 -36.27 79.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.174 0.511 . . . . 25.0 110.405 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.88 -41.36 59.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.908 -0.587 . . . . 25.0 110.799 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.6 mt -58.68 -35.53 72.74 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.796 0.331 . . . . 25.0 110.594 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.99 -11.09 55.85 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -99.46 4.17 46.0 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.006 -0.433 . . . . 25.0 110.4 175.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.38 11.46 80.38 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.976 -0.631 . . . . 25.0 112.59 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -80.95 163.79 23.06 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.145 -1.057 . . . . 25.0 108.145 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.81 64.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.277 0.631 . . . . 25.0 112.315 177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.09 -165.02 26.38 Favored Glycine 0 C--O 1.224 -0.494 0 N-CA-C 107.796 -2.121 . . . . 25.0 107.796 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.45 169.18 31.0 Favored Glycine 0 CA--C 1.511 -0.18 0 CA-C-N 118.324 1.062 . . . . 25.0 111.036 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -136.96 161.1 36.96 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.59 135.42 47.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 25.0 111.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -82.35 162.66 22.14 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 172.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.54 2.47 5.88 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.781 1.072 . . . . 25.0 115.781 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -109.98 21.53 16.71 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 117.505 0.653 . . . . 25.0 110.758 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.06 28.11 16.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.469 1.108 . . . . 25.0 111.582 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.96 141.21 15.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.86 128.02 52.9 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.26 105.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 78.8 m -70.92 149.93 46.23 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.628 -1.169 . . . . 25.0 109.948 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt85 -89.15 175.01 7.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.767 -2.308 . . . . 25.0 104.767 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.77 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.602 -0.714 . . . . 25.0 109.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 t -116.81 158.23 24.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.777 0.717 . . . . 25.0 111.709 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.7 t -108.99 4.76 23.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.505 1.122 . . . . 25.0 108.704 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.07 151.73 39.1 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 45.36 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 123.633 1.683 . . . . 25.0 106.629 172.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.0 tp -72.54 -30.59 64.58 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 112.568 -2.106 . . . . 25.0 109.271 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.05 11.87 8.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.73 -120.51 6.79 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 104.642 -3.383 . . . . 25.0 104.642 -171.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -48.88 158.05 0.35 Allowed 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.72 14.97 30.44 Favored Glycine 0 C--N 1.32 -0.332 0 CA-C-N 112.667 -2.061 . . . . 25.0 110.049 -170.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.92 -39.01 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 122.025 0.917 . . . . 25.0 111.038 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.71 115.05 15.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 171.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -61.82 -2.87 0.95 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.773 1.768 . . . . 25.0 115.773 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.09 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.314 0.578 . . . . 25.0 111.379 171.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.3 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.484 -0.78 . . . . 25.0 111.963 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.63 94.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.69 0.757 . . . . 25.0 110.666 177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.61 98.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.048 -0.978 . . . . 25.0 109.517 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.25 87.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.237 -0.892 . . . . 25.0 111.238 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.94 -32.79 73.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.062 0.458 . . . . 25.0 110.695 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.7 m -77.31 -42.79 35.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.205 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.59 -34.58 71.25 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.008 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.14 -13.33 57.86 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.453 0.908 . . . . 25.0 113.453 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -102.17 5.74 40.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.168 -0.333 . . . . 25.0 110.72 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.12 9.23 84.42 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.011 -0.614 . . . . 25.0 112.83 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -78.79 161.6 26.7 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -16.57 63.52 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.26 -165.02 25.29 Favored Glycine 0 C--O 1.224 -0.52 0 N-CA-C 107.561 -2.215 . . . . 25.0 107.561 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.21 172.05 33.44 Favored Glycine 0 C--O 1.229 -0.156 0 CA-C-N 118.532 1.166 . . . . 25.0 111.611 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -137.08 160.99 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.17 139.66 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.95 162.83 16.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.924 -1.509 . . . . 25.0 106.924 171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.26 -0.78 11.33 Favored Glycine 0 C--O 1.217 -0.964 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -100.15 15.01 28.84 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 117.204 0.502 . . . . 25.0 110.524 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.78 29.56 18.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.382 1.073 . . . . 25.0 111.051 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -97.5 142.57 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.403 -1.703 . . . . 25.0 106.403 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.82 128.34 52.96 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.704 -0.851 . . . . 25.0 108.704 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -116.09 100.96 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 -176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -70.69 149.68 46.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.716 -1.129 . . . . 25.0 109.458 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -89.91 174.89 7.43 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.626 -2.361 . . . . 25.0 104.626 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--O 1.239 0.516 0 CA-C-O 118.712 -0.661 . . . . 25.0 109.7 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -119.5 158.14 26.87 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.695 0.679 . . . . 25.0 112.367 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -108.41 7.3 26.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.651 1.18 . . . . 25.0 108.821 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.46 158.52 29.28 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.259 1.207 . . . . 25.0 114.259 -176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.74 45.52 1.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 123.589 1.662 . . . . 25.0 106.583 173.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.38 -34.9 41.57 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.706 -2.043 . . . . 25.0 111.401 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -89.67 9.47 26.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 -175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.98 -125.23 6.56 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 106.463 -2.655 . . . . 25.0 106.463 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -49.16 160.03 0.25 Allowed 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 115.948 1.833 . . . . 25.0 115.948 178.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.87 14.02 14.76 Favored Glycine 0 C--N 1.318 -0.447 0 CA-C-N 112.418 -2.174 . . . . 25.0 110.989 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.11 -37.42 61.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 122.4 1.095 . . . . 25.0 108.974 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -76.95 104.61 7.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.776 -2.305 . . . . 25.0 104.776 167.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -62.71 -2.47 1.15 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.051 1.871 . . . . 25.0 116.051 -173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 -16.26 52.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.561 0.696 . . . . 25.0 111.623 172.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.64 -38.07 69.04 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.18 -0.918 . . . . 25.0 112.878 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.73 98.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.876 0.846 . . . . 25.0 111.144 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.97 97.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.757 -1.11 . . . . 25.0 109.669 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.2 87.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.178 -0.919 . . . . 25.0 111.237 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -61.91 -34.55 76.25 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.162 0.506 . . . . 25.0 110.52 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -75.59 -40.45 56.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.884 -0.598 . . . . 25.0 111.043 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.71 -36.5 74.35 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.768 0.318 . . . . 25.0 110.705 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.11 -20.21 65.81 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -87.3 1.64 52.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.016 -0.428 . . . . 25.0 111.159 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 12.9 73.37 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.08 -0.581 . . . . 25.0 112.33 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.77 164.97 18.19 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.1 62.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.726 0.81 . . . . 25.0 112.515 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.0 -165.16 25.71 Favored Glycine 0 CA--C 1.504 -0.631 0 N-CA-C 107.809 -2.117 . . . . 25.0 107.809 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.59 169.41 28.47 Favored Glycine 0 CA--C 1.509 -0.305 0 N-CA-C 110.199 -1.16 . . . . 25.0 110.199 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -136.98 160.94 37.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.47 129.46 55.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.94 0.4 . . . . 25.0 111.277 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -80.04 162.6 24.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 173.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.21 1.68 4.81 Favored Glycine 0 C--O 1.218 -0.849 0 N-CA-C 116.416 1.326 . . . . 25.0 116.416 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.38 22.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 117.682 0.741 . . . . 25.0 110.91 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.21 28.4 17.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.532 1.133 . . . . 25.0 111.352 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.02 138.79 20.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.78 126.48 51.9 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.62 106.56 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.09 150.29 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.2 -1.364 . . . . 25.0 109.681 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -88.72 -179.55 6.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 118.518 -0.753 . . . . 25.0 110.254 174.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.656 -0.688 . . . . 25.0 109.434 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -119.93 157.76 28.1 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.743 0.701 . . . . 25.0 112.447 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -108.81 8.68 26.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.527 1.131 . . . . 25.0 108.746 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.86 156.53 30.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.24 46.49 1.68 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.771 1.748 . . . . 25.0 106.615 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 tp -79.21 -34.43 42.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 112.423 -2.171 . . . . 25.0 111.01 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -89.06 9.07 26.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -175.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.68 -124.79 6.41 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.944 -2.462 . . . . 25.0 106.944 -174.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.84 160.72 0.42 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 14.65 15.31 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 112.34 -2.209 . . . . 25.0 110.837 -173.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.88 -37.05 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 122.413 1.101 . . . . 25.0 109.254 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -76.04 105.55 7.15 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 104.856 -2.275 . . . . 25.0 104.856 168.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -62.15 -2.05 0.86 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.344 1.979 . . . . 25.0 116.344 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -16.49 55.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.577 0.703 . . . . 25.0 111.584 172.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.25 69.7 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.226 -0.897 . . . . 25.0 112.846 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.21 99.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.939 0.876 . . . . 25.0 111.028 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.11 97.67 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.778 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.1 86.65 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.009 -0.996 . . . . 25.0 111.088 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -61.85 -34.75 76.53 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.127 0.489 . . . . 25.0 110.554 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.0 -41.12 60.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.887 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.65 -36.55 74.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.884 0.374 . . . . 25.0 110.827 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.0 -20.42 65.89 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.063 0.764 . . . . 25.0 113.063 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -87.69 1.57 53.4 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.069 -0.395 . . . . 25.0 111.171 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.97 12.96 73.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.023 -0.608 . . . . 25.0 112.444 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -85.15 165.03 17.77 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -15.34 60.56 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.67 0.788 . . . . 25.0 112.84 177.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.72 -165.14 25.12 Favored Glycine 0 C--O 1.219 -0.782 0 N-CA-C 107.741 -2.144 . . . . 25.0 107.741 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -148.66 170.21 29.14 Favored Glycine 0 CA--C 1.51 -0.254 0 CA-C-N 118.167 0.984 . . . . 25.0 110.661 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.04 160.58 38.52 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.67 130.23 55.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.027 0.441 . . . . 25.0 111.929 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -80.13 162.9 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.2 0.73 5.83 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 116.629 1.412 . . . . 25.0 116.629 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -110.46 23.1 14.68 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 117.74 0.77 . . . . 25.0 110.895 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.4 28.84 17.06 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.65 1.18 . . . . 25.0 111.318 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mt -94.92 138.5 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.824 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.7 t -104.51 126.72 51.86 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.15 -0.932 . . . . 25.0 108.524 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.64 104.74 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.6 m -68.76 150.07 48.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.266 -1.333 . . . . 25.0 109.532 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -88.1 -179.8 6.25 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 105.868 -1.901 . . . . 25.0 105.868 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 p30 . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 118.653 -0.689 . . . . 25.0 110.376 175.016 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.682 -0.675 . . . . 25.0 109.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -115.08 159.68 20.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.553 0.615 . . . . 25.0 111.405 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 t -108.93 1.4 20.71 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.482 1.113 . . . . 25.0 108.506 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -71.57 159.05 35.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.71 45.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.368 1.556 . . . . 25.0 107.366 171.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.26 -32.18 58.7 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.77 -2.014 . . . . 25.0 108.831 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 m -82.66 8.83 10.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.33 -125.5 8.54 Favored Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 104.161 -3.576 . . . . 25.0 104.161 -173.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.5 161.28 0.33 Allowed 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 176.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.99 14.94 17.65 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-N 112.62 -2.082 . . . . 25.0 111.082 -170.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.09 -36.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.839 0.828 . . . . 25.0 111.534 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.76 107.17 5.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 168.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -60.53 -3.71 0.74 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -14.78 43.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.471 0.653 . . . . 25.0 111.37 171.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.617 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -44.45 94.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.838 0.828 . . . . 25.0 111.069 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.78 97.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.876 -1.056 . . . . 25.0 109.504 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.19 88.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.051 -0.977 . . . . 25.0 111.318 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -61.93 -34.2 75.65 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 25.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -76.2 -40.32 52.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.142 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.72 -36.07 73.68 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.775 0.322 . . . . 25.0 110.713 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.0 -20.15 65.69 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -88.07 2.04 52.86 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.973 -0.455 . . . . 25.0 111.154 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.58 12.87 74.3 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.157 -0.544 . . . . 25.0 112.403 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -84.09 164.96 18.9 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -18.22 63.41 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.712 0.805 . . . . 25.0 112.343 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.92 -164.96 26.03 Favored Glycine 0 CA--C 1.504 -0.614 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.25 169.49 27.55 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -136.94 160.8 37.83 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.3 m -108.9 129.59 55.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.048 0.451 . . . . 25.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -78.15 162.73 26.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.12 2.39 4.04 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 116.692 1.437 . . . . 25.0 116.692 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -113.69 24.66 11.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 117.727 0.763 . . . . 25.0 111.11 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.39 28.98 17.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.575 1.15 . . . . 25.0 111.382 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -95.0 138.94 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.03 126.84 52.5 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.007 -0.997 . . . . 25.0 108.341 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -125.19 107.6 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.1 m -69.25 150.89 46.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.171 -1.377 . . . . 25.0 110.274 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -89.57 -180.0 5.92 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 p30 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 118.567 -0.73 . . . . 25.0 110.213 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 118.531 -0.747 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -117.98 156.7 28.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.741 0.7 . . . . 25.0 112.474 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.0 t -108.67 7.84 26.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.455 1.102 . . . . 25.0 108.856 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.78 158.14 25.7 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.19 45.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 123.581 1.658 . . . . 25.0 107.082 171.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.36 -34.58 55.02 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 112.476 -2.147 . . . . 25.0 110.738 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -88.03 9.27 22.99 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.08 -125.02 7.37 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 105.664 -2.974 . . . . 25.0 105.664 -174.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.57 160.68 0.26 Allowed 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 115.994 1.85 . . . . 25.0 115.994 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.6 13.99 19.0 Favored Glycine 0 C--N 1.317 -0.499 0 CA-C-N 112.373 -2.194 . . . . 25.0 110.628 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.56 -35.85 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 122.321 1.058 . . . . 25.0 108.706 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -75.12 101.28 4.51 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.463 -2.421 . . . . 25.0 104.463 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.88 2.15 0.55 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 116.386 1.995 . . . . 25.0 116.386 -172.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -16.23 54.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.473 0.654 . . . . 25.0 111.339 171.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.32 70.64 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.229 -0.896 . . . . 25.0 112.982 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -43.47 98.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.939 0.876 . . . . 25.0 110.987 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.55 96.84 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.724 -1.125 . . . . 25.0 109.827 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.08 86.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.222 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -61.61 -34.41 75.59 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.136 0.493 . . . . 25.0 110.477 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -76.57 -39.89 51.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.952 -0.567 . . . . 25.0 111.333 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.84 -36.18 74.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.893 0.378 . . . . 25.0 110.62 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.89 -20.24 65.68 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -87.82 1.82 52.95 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.039 -0.413 . . . . 25.0 111.154 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.99 12.62 73.73 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.119 -0.562 . . . . 25.0 112.307 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -84.33 164.9 18.68 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.47 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.704 0.801 . . . . 25.0 112.38 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.13 25.92 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 107.648 -2.181 . . . . 25.0 107.648 178.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.86 168.74 27.45 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 110.089 -1.204 . . . . 25.0 110.089 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -136.88 160.24 39.47 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.388 -0.968 . . . . 25.0 108.388 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.0 m -108.27 129.44 55.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.943 0.402 . . . . 25.0 111.608 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -79.53 162.64 25.26 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.19 1.91 4.58 Favored Glycine 0 C--O 1.218 -0.891 0 N-CA-C 116.608 1.403 . . . . 25.0 116.608 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -111.66 23.12 14.26 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 117.637 0.719 . . . . 25.0 110.974 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.29 29.07 17.27 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.569 1.147 . . . . 25.0 111.19 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -95.28 139.18 19.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -104.7 126.5 51.84 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -124.75 107.82 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.06 150.26 47.82 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.086 -1.415 . . . . 25.0 109.816 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -88.26 -179.49 6.15 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 106.059 -1.83 . . . . 25.0 106.059 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.4 p30 . . . . . 0 N--CA 1.44 -0.932 0 CA-C-O 118.579 -0.724 . . . . 25.0 110.247 174.613 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 118.568 -0.729 . . . . 25.0 109.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 157.08 30.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.889 0.768 . . . . 25.0 112.721 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -108.99 8.43 26.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.52 1.128 . . . . 25.0 108.789 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -61.82 155.84 22.11 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.315 1.228 . . . . 25.0 114.315 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.72 45.19 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 123.452 1.596 . . . . 25.0 106.818 172.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.55 -34.63 63.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.561 -2.109 . . . . 25.0 109.974 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 m -87.46 12.55 11.98 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.09 -121.56 7.25 Favored Glycine 0 N--CA 1.442 -0.904 1 N-CA-C 102.407 -4.277 . . . . 25.0 102.407 -166.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.75 157.04 0.42 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 123.527 1.632 . . . . 25.0 114.765 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.86 -1.8 19.73 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 111.812 -2.449 . . . . 25.0 109.223 -168.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.1 -39.23 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 122.561 1.172 . . . . 25.0 109.044 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.72 101.89 8.68 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 104.464 -2.421 . . . . 25.0 104.464 168.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -62.65 -4.03 1.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.866 1.802 . . . . 25.0 115.866 -172.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -17.11 59.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.462 0.649 . . . . 25.0 111.727 171.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.28 68.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.549 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.575 0.703 . . . . 25.0 111.006 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.626 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.21 88.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.396 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.55 -37.07 82.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 25.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.76 -42.0 64.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 25.0 110.463 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.52 -36.31 73.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.754 0.312 . . . . 25.0 110.711 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.2 -16.64 64.16 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -92.33 2.75 56.45 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.914 -0.491 . . . . 25.0 110.724 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.27 79.37 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 121.117 -0.563 . . . . 25.0 112.498 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -80.81 163.25 23.59 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -5.68 28.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.7 -164.95 24.91 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 108.299 -1.92 . . . . 25.0 108.299 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.99 168.29 35.64 Favored Glycine 0 C--O 1.229 -0.202 0 CA-C-N 118.668 1.234 . . . . 25.0 110.757 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -137.02 160.95 37.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 117.91 0.855 . . . . 25.0 109.362 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.9 m -106.21 132.73 51.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -79.3 161.58 26.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.57 1.01 7.92 Favored Glycine 0 C--O 1.219 -0.839 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -107.27 20.26 19.2 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 117.298 0.549 . . . . 25.0 110.659 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.58 28.0 16.46 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.711 1.205 . . . . 25.0 111.651 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mt -96.12 139.87 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.92 128.41 53.16 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.86 104.63 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.39 151.08 45.6 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.592 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -83.18 174.99 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 118.658 -0.687 . . . . 25.0 109.373 173.59 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.962 -0.542 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -113.47 147.88 37.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.282 0.492 . . . . 25.0 111.799 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.9 t -109.12 1.61 20.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.04 0.936 . . . . 25.0 109.27 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -68.46 155.23 40.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 -174.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.87 45.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 123.615 1.674 . . . . 25.0 107.169 173.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -78.89 -32.43 45.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 112.738 -2.028 . . . . 25.0 109.164 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 m -83.17 11.7 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.291 1.219 . . . . 25.0 114.291 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.82 -120.13 6.08 Favored Glycine 0 N--CA 1.439 -1.102 1 N-CA-C 102.797 -4.121 . . . . 25.0 102.797 -169.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.98 158.27 0.34 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 123.544 1.64 . . . . 25.0 114.715 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.82 11.22 25.12 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 112.067 -2.333 . . . . 25.0 110.482 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.24 -39.22 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.937 0.875 . . . . 25.0 109.418 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -77.98 103.65 8.05 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 104.033 -2.58 . . . . 25.0 104.033 166.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -64.71 3.17 0.55 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.075 1.88 . . . . 25.0 116.075 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -15.43 56.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.534 0.683 . . . . 25.0 111.032 170.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.02 65.84 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.352 -0.84 . . . . 25.0 112.421 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -45.19 94.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.75 0.786 . . . . 25.0 110.737 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.51 96.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.004 -0.998 . . . . 25.0 109.515 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.89 85.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.397 -0.82 . . . . 25.0 111.318 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -61.72 -31.48 71.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.038 0.447 . . . . 25.0 110.8 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -80.13 -41.25 25.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.57 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.49 -34.82 71.33 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.495 -0.321 . . . . 25.0 110.561 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.92 -9.39 29.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -106.49 7.46 30.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 122.144 -0.347 . . . . 25.0 110.631 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 7.48 86.81 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 121.03 -0.605 . . . . 25.0 112.848 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.58 161.56 26.91 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -18.06 65.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.77 -165.05 25.97 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.446 -2.261 . . . . 25.0 107.446 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.0 174.06 31.82 Favored Glycine 0 C--O 1.23 -0.103 0 CA-C-N 118.449 1.125 . . . . 25.0 111.449 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -137.06 160.92 37.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.7 m -104.03 137.49 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.897 0.38 . . . . 25.0 111.682 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -92.14 163.19 14.03 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.0 2.56 3.77 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 117.766 1.866 . . . . 25.0 117.766 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -110.77 23.51 14.09 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 117.995 0.898 . . . . 25.0 110.233 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.13 28.32 18.0 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.536 1.134 . . . . 25.0 111.24 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.6 mt -93.85 138.71 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 106.476 -1.676 . . . . 25.0 106.476 175.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.92 126.98 52.56 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.78 104.72 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -69.6 150.92 46.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 113.991 -1.459 . . . . 25.0 110.489 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.2 mtt85 -92.35 175.09 6.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.631 -2.359 . . . . 25.0 104.631 173.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.673 -0.68 . . . . 25.0 109.488 176.372 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.512 -0.756 . . . . 25.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -113.54 158.27 20.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.707 0.685 . . . . 25.0 111.088 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -108.59 0.76 20.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.257 1.023 . . . . 25.0 108.706 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -74.8 160.91 30.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.14 45.08 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 123.245 1.498 . . . . 25.0 107.596 171.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.51 -33.05 42.44 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.862 -1.972 . . . . 25.0 109.502 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.5 m -86.99 9.32 19.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.932 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.01 -125.62 7.97 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 104.432 -3.467 . . . . 25.0 104.432 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.97 161.88 0.33 Allowed 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 123.276 1.512 . . . . 25.0 114.996 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.32 14.94 10.99 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 112.493 -2.14 . . . . 25.0 111.551 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -55.63 -36.1 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.93 0.871 . . . . 25.0 109.941 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -76.41 101.79 5.7 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 104.869 -2.271 . . . . 25.0 104.869 165.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -62.76 -1.45 0.87 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.992 1.849 . . . . 25.0 115.992 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -15.39 44.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.591 0.71 . . . . 25.0 111.222 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.83 62.67 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.982 -1.008 . . . . 25.0 112.918 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -45.08 94.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.936 0.874 . . . . 25.0 111.405 177.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.1 98.49 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.706 -1.134 . . . . 25.0 109.493 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.06 87.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.864 -1.062 . . . . 25.0 111.507 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -61.7 -34.6 76.06 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.187 0.518 . . . . 25.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.42 -39.88 52.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.899 -0.592 . . . . 25.0 111.252 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.89 -36.05 74.03 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.793 0.33 . . . . 25.0 110.565 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.54 -20.55 66.29 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.977 0.732 . . . . 25.0 112.977 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -87.5 1.39 53.65 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.01 -0.431 . . . . 25.0 110.917 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.39 10.93 76.33 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.187 -0.53 . . . . 25.0 112.737 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -81.58 164.76 21.67 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.6 -17.33 62.75 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -165.14 26.73 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.17 168.03 30.14 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 109.41 -1.476 . . . . 25.0 109.41 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -137.03 160.91 37.52 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.02 129.73 54.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.937 0.399 . . . . 25.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -80.06 162.69 24.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.297 -1.371 . . . . 25.0 107.297 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.92 3.21 4.13 Favored Glycine 0 C--O 1.219 -0.804 0 N-CA-C 116.19 1.236 . . . . 25.0 116.19 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -111.21 22.11 15.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 117.529 0.664 . . . . 25.0 111.011 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.02 28.27 17.12 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.444 1.098 . . . . 25.0 111.429 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.18 138.87 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.613 -1.625 . . . . 25.0 106.613 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.43 126.44 51.53 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.835 -1.075 . . . . 25.0 108.14 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.29 105.71 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.46 150.29 47.37 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.288 -1.324 . . . . 25.0 110.102 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.35 -179.77 6.74 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 p30 . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 172.595 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 118.749 -0.643 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -116.49 158.18 24.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.697 0.68 . . . . 25.0 111.235 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -108.92 0.56 20.22 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.464 1.106 . . . . 25.0 108.562 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -66.3 158.36 29.27 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 45.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 123.618 1.675 . . . . 25.0 106.961 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.6 tp -71.53 -31.76 67.4 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.633 -2.076 . . . . 25.0 109.109 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 11.86 10.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.059 1.503 . . . . 25.0 115.059 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.89 -121.18 6.82 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 103.261 -3.935 . . . . 25.0 103.261 -170.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -48.96 158.29 0.34 Allowed 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 123.31 1.528 . . . . 25.0 114.832 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.6 14.97 26.14 Favored Glycine 0 C--O 1.226 -0.346 0 CA-C-N 112.461 -2.154 . . . . 25.0 110.021 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.41 -36.38 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-O 122.293 1.044 . . . . 25.0 110.491 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.57 109.34 11.44 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.882 -2.266 . . . . 25.0 104.882 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -60.92 -5.15 1.22 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -173.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.36 48.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.481 0.658 . . . . 25.0 111.69 172.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.28 -32.59 64.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.241 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -45.02 93.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.753 0.787 . . . . 25.0 110.864 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.96 97.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.053 -0.976 . . . . 25.0 109.404 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.47 87.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.497 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -61.53 -32.36 72.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.074 0.464 . . . . 25.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.2 m -79.32 -40.87 29.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.771 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.61 -34.9 71.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.81 0.338 . . . . 25.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 mt -66.15 -8.84 26.38 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -105.31 6.6 32.89 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.104 -0.373 . . . . 25.0 110.531 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.18 8.05 85.99 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.021 -0.609 . . . . 25.0 112.71 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -78.76 161.91 26.51 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -17.07 64.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.73 -164.93 26.29 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 107.813 -2.115 . . . . 25.0 107.813 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.4 170.97 31.0 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 118.371 1.086 . . . . 25.0 111.306 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -137.04 160.98 37.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.1 m -104.55 136.5 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 25.0 112.092 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -81.73 162.71 22.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.14 1.28 6.54 Favored Glycine 0 C--O 1.22 -0.761 0 N-CA-C 115.914 1.126 . . . . 25.0 115.914 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.06 23.57 13.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 117.562 0.681 . . . . 25.0 110.988 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.73 27.79 16.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.632 1.173 . . . . 25.0 112.011 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 mt -95.23 141.43 15.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 106.53 -1.656 . . . . 25.0 106.53 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -105.06 128.55 53.38 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.8 t -121.67 106.04 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.58 150.83 45.67 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.271 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.3 mtt85 -91.0 175.08 7.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 p30 . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.525 175.781 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 118.59 -0.719 . . . . 25.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -115.26 158.03 22.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.729 0.695 . . . . 25.0 111.576 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 t -108.48 2.46 22.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.621 1.168 . . . . 25.0 108.952 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.15 160.44 31.21 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 46.32 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 123.713 1.72 . . . . 25.0 106.965 172.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.5 tp -80.05 -34.64 38.03 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.59 -2.096 . . . . 25.0 109.692 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -85.48 9.25 16.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -125.06 7.18 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 105.596 -3.001 . . . . 25.0 105.596 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.41 161.7 0.43 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.09 1.515 . . . . 25.0 115.09 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.64 14.86 11.86 Favored Glycine 0 C--N 1.318 -0.44 0 CA-C-N 112.418 -2.174 . . . . 25.0 111.528 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.69 -38.23 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 122.074 0.94 . . . . 25.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.84 105.75 8.09 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 105.051 -2.203 . . . . 25.0 105.051 167.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -62.11 -3.37 1.24 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.816 1.784 . . . . 25.0 115.816 -173.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -15.54 47.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.67 0.748 . . . . 25.0 111.521 171.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.07 -36.11 65.26 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.154 -0.93 . . . . 25.0 112.719 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.51 95.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.903 0.859 . . . . 25.0 111.206 177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.11 98.04 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.838 -1.074 . . . . 25.0 109.535 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.02 87.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.908 -1.042 . . . . 25.0 111.434 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -61.77 -34.28 75.6 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.172 0.511 . . . . 25.0 110.516 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -76.5 -40.31 50.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 25.0 111.09 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.72 -36.22 73.94 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.784 0.326 . . . . 25.0 110.702 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.7 mt -64.0 -20.21 65.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -88.14 1.83 53.47 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 122.045 -0.41 . . . . 25.0 111.091 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.86 12.85 73.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.327 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -84.2 164.9 18.82 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.81 63.04 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.531 0.732 . . . . 25.0 112.493 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.65 -165.05 25.93 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.04 27.85 Favored Glycine 0 CA--C 1.508 -0.346 0 N-CA-C 110.039 -1.224 . . . . 25.0 110.039 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.64 160.74 37.89 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.59 129.64 55.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 25.0 111.498 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.49 162.33 26.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.69 2.56 4.5 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 116.365 1.306 . . . . 25.0 116.365 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -111.88 23.16 14.12 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 117.592 0.696 . . . . 25.0 110.948 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.48 28.59 16.84 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.529 1.131 . . . . 25.0 111.305 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mt -95.04 139.13 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.801 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.78 126.76 52.18 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.89 107.38 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 107.081 -1.452 . . . . 25.0 107.081 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.08 150.75 47.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.223 -1.353 . . . . 25.0 110.075 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.8 mtt85 -89.52 -179.71 5.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 p30 . . . . . 0 N--CA 1.441 -0.918 0 CA-C-O 118.687 -0.673 . . . . 25.0 110.333 174.699 . . . . . . . . 0 0 . 1 stop_ save_